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- PDB-8ewv: DNA-encoded library (DEL)-enabled discovery of proximity inducing... -

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基本情報

登録情報
データベース: PDB / ID: 8ewv
タイトルDNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
要素
  • Bromodomain-containing protein 4
  • Elongin-B
  • Elongin-C
  • von Hippel-Lindau disease tumor suppressor
キーワードAPOPTOSIS / molecular glue / bifunctional compound / BRD4 / VCB / DNA-encoded libraries
機能・相同性
機能・相同性情報


regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / target-directed miRNA degradation / transcription elongation factor activity / VCB complex / elongin complex / Replication of the SARS-CoV-1 genome / Cul5-RING ubiquitin ligase complex / intracellular membraneless organelle ...regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / target-directed miRNA degradation / transcription elongation factor activity / VCB complex / elongin complex / Replication of the SARS-CoV-1 genome / Cul5-RING ubiquitin ligase complex / intracellular membraneless organelle / Cul2-RING ubiquitin ligase complex / SUMOylation of ubiquitinylation proteins / negative regulation of transcription elongation by RNA polymerase II / RNA polymerase II C-terminal domain binding / P-TEFb complex binding / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / negative regulation of DNA damage checkpoint / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / negative regulation by host of viral transcription / Tat-mediated elongation of the HIV-1 transcript / ubiquitin-like ligase-substrate adaptor activity / Formation of HIV-1 elongation complex containing HIV-1 Tat / negative regulation of signal transduction / positive regulation of T-helper 17 cell lineage commitment / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / negative regulation of TORC1 signaling / protein serine/threonine kinase binding / positive regulation of G2/M transition of mitotic cell cycle / RNA Polymerase II Pre-transcription Events / RNA polymerase II CTD heptapeptide repeat kinase activity / negative regulation of autophagy / condensed nuclear chromosome / transcription corepressor binding / histone reader activity / : / positive regulation of transcription elongation by RNA polymerase II / positive regulation of cell differentiation / transcription coregulator activity / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / Vif-mediated degradation of APOBEC3G / Inactivation of CSF3 (G-CSF) signaling / cell morphogenesis / Evasion by RSV of host interferon responses / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / Regulation of expression of SLITs and ROBOs / ubiquitin-protein transferase activity / transcription corepressor activity / p53 binding / Antigen processing: Ubiquitination & Proteasome degradation / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / Neddylation / chromosome / microtubule cytoskeleton / regulation of gene expression / Replication of the SARS-CoV-2 genome / protein-containing complex assembly / ubiquitin-dependent protein catabolic process / regulation of inflammatory response / protein-macromolecule adaptor activity / DNA-binding transcription factor binding / molecular adaptor activity / cellular response to hypoxia / histone binding / amyloid fibril formation / proteasome-mediated ubiquitin-dependent protein catabolic process / Potential therapeutics for SARS / positive regulation of canonical NF-kappaB signal transduction / transcription coactivator activity / transcription cis-regulatory region binding / protein stabilization / protein ubiquitination / cilium / chromatin remodeling / negative regulation of cell population proliferation / negative regulation of gene expression / protein serine/threonine kinase activity / ubiquitin protein ligase binding / DNA damage response / chromatin binding / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / chromatin / positive regulation of DNA-templated transcription / enzyme binding / negative regulation of transcription by RNA polymerase II / endoplasmic reticulum / positive regulation of transcription by RNA polymerase II / mitochondrion / proteolysis / nucleoplasm / nucleus / plasma membrane / cytosol
類似検索 - 分子機能
von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B ...von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / Brdt, bromodomain, repeat I / Brdt, bromodomain, repeat II / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / SKP1/BTB/POZ domain superfamily / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / Bromodomain profile. / bromo domain / Bromodomain / Bromodomain-like superfamily / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily
類似検索 - ドメイン・相同性
Chem-X5K / Bromodomain-containing protein 4 / von Hippel-Lindau disease tumor suppressor / Elongin-C / Elongin-B
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.4 Å
データ登録者Schreiber, S.L. / Shu, W. / Ma, X. / Michaud, G. / Bonazzi, S. / Berst, F.
資金援助 米国, 1件
組織認可番号
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35GM127045 米国
引用ジャーナル: Nat.Chem.Biol. / : 2024
タイトル: DNA-encoded library-enabled discovery of proximity-inducing small molecules.
著者: Mason, J.W. / Chow, Y.T. / Hudson, L. / Tutter, A. / Michaud, G. / Westphal, M.V. / Shu, W. / Ma, X. / Tan, Z.Y. / Coley, C.W. / Clemons, P.A. / Bonazzi, S. / Berst, F. / Briner, K. / Liu, S. ...著者: Mason, J.W. / Chow, Y.T. / Hudson, L. / Tutter, A. / Michaud, G. / Westphal, M.V. / Shu, W. / Ma, X. / Tan, Z.Y. / Coley, C.W. / Clemons, P.A. / Bonazzi, S. / Berst, F. / Briner, K. / Liu, S. / Zecri, F.J. / Schreiber, S.L.
履歴
登録2022年10月24日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02023年10月4日Provider: repository / タイプ: Initial release
改定 1.12023年11月15日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
改定 1.22024年2月14日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _citation_author.identifier_ORCID

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: Elongin-B
B: Elongin-C
C: von Hippel-Lindau disease tumor suppressor
D: Bromodomain-containing protein 4
E: Elongin-B
F: Elongin-C
G: von Hippel-Lindau disease tumor suppressor
H: Bromodomain-containing protein 4
I: Elongin-B
J: Elongin-C
K: von Hippel-Lindau disease tumor suppressor
L: Bromodomain-containing protein 4
M: Elongin-B
N: Elongin-C
O: von Hippel-Lindau disease tumor suppressor
P: Bromodomain-containing protein 4
Q: Elongin-B
R: Elongin-C
S: von Hippel-Lindau disease tumor suppressor
T: Bromodomain-containing protein 4
U: Elongin-B
V: Elongin-C
W: von Hippel-Lindau disease tumor suppressor
X: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)352,45930
ポリマ-346,81724
非ポリマー5,6416
00
1
A: Elongin-B
B: Elongin-C
C: von Hippel-Lindau disease tumor suppressor
D: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
2
E: Elongin-B
F: Elongin-C
G: von Hippel-Lindau disease tumor suppressor
H: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
3
I: Elongin-B
J: Elongin-C
K: von Hippel-Lindau disease tumor suppressor
L: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
4
M: Elongin-B
N: Elongin-C
O: von Hippel-Lindau disease tumor suppressor
P: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
5
Q: Elongin-B
R: Elongin-C
S: von Hippel-Lindau disease tumor suppressor
T: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
6
U: Elongin-B
V: Elongin-C
W: von Hippel-Lindau disease tumor suppressor
X: Bromodomain-containing protein 4
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,7435
ポリマ-57,8034
非ポリマー9401
0
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)110.485, 164.048, 256.202
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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要素

#1: タンパク質
Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / ...EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2


分子量: 13147.781 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOB, TCEB2 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q15370
#2: タンパク質
Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / ...EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1


分子量: 10843.420 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOC, TCEB1 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q15369
#3: タンパク質
von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL


分子量: 18712.328 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: VHL / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P40337
#4: タンパク質
Bromodomain-containing protein 4 / Protein HUNK1


分子量: 15099.380 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: BRD4, HUNK1 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: O60885
#5: 化合物
ChemComp-X5K / N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide


分子量: 940.211 Da / 分子数: 6 / 由来タイプ: 合成 / : C48H69N13O5S / タイプ: SUBJECT OF INVESTIGATION
研究の焦点であるリガンドがあるかY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 3.35 Å3/Da / 溶媒含有率: 63.25 %
結晶化温度: 300 K / 手法: 蒸気拡散法 / 詳細: 0.2 M NA2MALON, 20 %W/V PEG 3350

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: ALS / ビームライン: 5.0.2 / 波長: 0.97903 Å
検出器タイプ: DECTRIS PILATUS 2M / 検出器: PIXEL / 日付: 2020年6月4日
放射モノクロメーター: M / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.97903 Å / 相対比: 1
反射解像度: 3.4→49.01 Å / Num. obs: 64886 / % possible obs: 100 % / 冗長度: 25 % / Biso Wilson estimate: 76.05 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.772 / Rpim(I) all: 0.155 / Rrim(I) all: 0.788 / Χ2: 1.02 / Net I/σ(I): 5.3
反射 シェル解像度: 3.4→3.48 Å / 冗長度: 24.4 % / Rmerge(I) obs: 3.442 / Num. unique obs: 4531 / CC1/2: 0.343 / Rpim(I) all: 0.71 / Rrim(I) all: 1.3 / Χ2: 1.09 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
PHENIX1.18.2_3874+SVN精密化
PHENIX1.18.2_3874+SVN精密化
XDSデータ削減
pointlessデータスケーリング
AMoRE位相決定
精密化構造決定の手法: 分子置換
開始モデル: 4W91
解像度: 3.4→49.01 Å / SU ML: 0.7018 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 38.7978
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.3242 3221 4.99 %
Rwork0.2804 61388 -
obs0.2826 64609 99.69 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso mean: 90.64 Å2
精密化ステップサイクル: LAST / 解像度: 3.4→49.01 Å
タンパク質核酸リガンド溶媒全体
原子数21721 0 402 0 22123
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.007722673
X-RAY DIFFRACTIONf_angle_d1.541330832
X-RAY DIFFRACTIONf_chiral_restr0.08893400
X-RAY DIFFRACTIONf_plane_restr0.01074143
X-RAY DIFFRACTIONf_dihedral_angle_d10.53673278
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4-3.450.46441450.40532667X-RAY DIFFRACTION99.86
3.45-3.50.40291300.38292600X-RAY DIFFRACTION100
3.5-3.560.3771530.3672654X-RAY DIFFRACTION99.89
3.56-3.620.39971490.36832617X-RAY DIFFRACTION99.75
3.62-3.690.44561470.41532624X-RAY DIFFRACTION99.89
3.69-3.760.43141120.36422675X-RAY DIFFRACTION99.93
3.76-3.840.35291340.33152638X-RAY DIFFRACTION99.86
3.84-3.920.4181240.33222660X-RAY DIFFRACTION99.78
3.92-4.010.37231570.34012617X-RAY DIFFRACTION99.71
4.01-4.110.31511350.30682667X-RAY DIFFRACTION99.75
4.11-4.220.32691440.28892658X-RAY DIFFRACTION99.61
4.22-4.350.31591220.26222634X-RAY DIFFRACTION99.6
4.35-4.490.32051450.25762657X-RAY DIFFRACTION99.68
4.49-4.650.30751590.25562638X-RAY DIFFRACTION99.71
4.65-4.830.32381380.26082698X-RAY DIFFRACTION99.79
4.83-5.050.27471180.25322653X-RAY DIFFRACTION99.57
5.05-5.320.35231420.26142659X-RAY DIFFRACTION99.75
5.32-5.650.33321410.26172692X-RAY DIFFRACTION99.79
5.65-6.090.29511340.26912692X-RAY DIFFRACTION99.72
6.09-6.70.25921350.26152692X-RAY DIFFRACTION99.65
6.7-7.670.29551630.24072710X-RAY DIFFRACTION99.93
7.67-9.640.23391540.20532747X-RAY DIFFRACTION99.72
9.65-49.010.26481400.20722839X-RAY DIFFRACTION98.09
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
1-0.00165400789773-0.007562547329410.00564101227650.0315077767236-0.03276868961480.02950862163770.2207784297590.234377986003-0.363891222363-0.2809300544430.1725513193490.7184417899090.0287098352754-0.1178391670760.0005952456282020.833789611878-0.105435077941-0.1186346944380.753782629555-0.09611167361361.10615727205-34.534706413931.1040071716-46.2114467081
20.3103160852070.0620740181244-0.01011848360460.494021652598-0.1897145853190.512314923366-0.2065243305480.0175074120866-0.115543556499-0.0413499271729-0.2120392671050.09346404284420.0314006996928-0.0493449548916-0.2525177553030.8820521145560.2156025883-0.1942335692420.115506551473-0.2625635734480.627927077348-32.75150968830.6905095275-40.8864334798
3-0.0103589424675-0.002982319625650.001263378904040.0102845728911-0.009478616555450.00799804628635-0.0487029628175-0.3702840983550.2554728763730.0678075512353-0.2845088234030.318300466089-0.1218869731710.09369841417358.02665585345E-50.8685668171410.114911226516-0.05817469581710.876180944678-0.01781282698241.00902638083-40.499169152939.5429823908-38.5504367742
40.004711507647750.00470510444363-0.00287426403071-0.001716098369670.00204163501430.00343419730646-0.1106402061760.02383731647310.127605185635-0.121783604698-0.0893580930595-0.185752034057-0.006201839444860.0326546749388-0.0002246202452740.672319371188-0.2191753898-0.1114550244930.500799065031-0.126064652421.13395469794-29.712691923743.9905382782-46.2359567356
50.009541085064190.004328379455450.00122374169350.002893041328610.00175873072456-0.002708968120730.0628772113897-0.05783103199250.0969986603616-0.05926013846380.0210539680970.0644443670168-0.01128538536030.0265395669636-7.6866722571E-50.9161299960510.113731178061-0.1879630139480.77992408970.05622440744580.72767604584-38.115962738539.9418061757-52.625071414
60.00319486383013-0.001172079389860.002009108057630.00277967810085-8.89389645025E-50.0010672860654-0.041822192599-0.01721476534040.00375882849791-0.0005811845402420.01547157225570.05664089522460.00480528775453-0.05709225111598.35922563746E-51.12189828766-0.292724364226-0.06817690607681.180031040720.09089483622721.02948472046-32.021240610626.0872296819-53.3043069133
70.0113917515274-0.000858700142847-0.02108612249960.007952350494130.0160647158080.06663928758970.0496487937702-0.02388276671980.1832367927450.02512844109990.08461106581710.0821478451274-0.0232275009857-0.01355006945460.01297075894140.983775738830.54650920821-0.1749959372620.478252233996-0.1051182382830.921134627537-30.052042277237.3727160333-43.7623689905
80.00205827985857-0.00230310344916-0.00139656572890.001112798575150.002874646706940.00104210571515-0.03258884826920.01265128816830.05604754051460.122539105747-0.0309947264953-0.0393763778521-0.0697760601838-0.00572174372314-0.0001524252385411.71806281537-0.470636887013-0.3294405365041.521676047320.1633510052531.40964002507-28.547423823748.0438471362-33.2798381153
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1630.01802564587480.007476288096780.000480848239015-0.000727646972025-3.44539967095E-55.84848647183E-50.0656269463721-0.1798675433310.076232029696-0.1034343158110.1592814540770.04662057122640.1460923190650.0948920228821-0.0001070683037020.332212022314-0.0731997952091-0.00274718930890.663169622930.0706673863870.31945327244-77.2903627191-9.43488454071-146.389448689
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精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:9 )A1 - 9
2X-RAY DIFFRACTION2( CHAIN A AND RESID 10:19 )A10 - 19
3X-RAY DIFFRACTION3( CHAIN A AND RESID 20:42 )A20 - 42
4X-RAY DIFFRACTION4( CHAIN A AND RESID 43:50 )A43 - 50
5X-RAY DIFFRACTION5( CHAIN A AND RESID 51:65 )A51 - 65
6X-RAY DIFFRACTION6( CHAIN A AND RESID 66:72 )A66 - 72
7X-RAY DIFFRACTION7( CHAIN A AND RESID 73:78 )A73 - 78
8X-RAY DIFFRACTION8( CHAIN A AND RESID 79:88 )A79 - 88
9X-RAY DIFFRACTION9( CHAIN A AND RESID 89:93 )A89 - 93
10X-RAY DIFFRACTION10( CHAIN A AND RESID 94:102 )A94 - 102
11X-RAY DIFFRACTION11( CHAIN B AND RESID 17:27 )B17 - 27
12X-RAY DIFFRACTION12( CHAIN B AND RESID 28:45 )B28 - 45
13X-RAY DIFFRACTION13( CHAIN B AND RESID 46:58 )B46 - 58
14X-RAY DIFFRACTION14( CHAIN B AND RESID 59:66 )B59 - 66
15X-RAY DIFFRACTION15( CHAIN B AND RESID 67:82 )B67 - 82
16X-RAY DIFFRACTION16( CHAIN B AND RESID 83:96 )B83 - 96
17X-RAY DIFFRACTION17( CHAIN B AND RESID 97:112 )B97 - 112
18X-RAY DIFFRACTION18( CHAIN C AND RESID 61:70 )C61 - 70
19X-RAY DIFFRACTION19( CHAIN C AND RESID 71:83 )C71 - 83
20X-RAY DIFFRACTION20( CHAIN C AND RESID 84:94 )C84 - 94
21X-RAY DIFFRACTION21( CHAIN C AND RESID 95:115 )C95 - 115
22X-RAY DIFFRACTION22( CHAIN C AND RESID 116:131 )C116 - 131
23X-RAY DIFFRACTION23( CHAIN C AND RESID 132:141 )C132 - 141
24X-RAY DIFFRACTION24( CHAIN C AND RESID 142:157 )C142 - 157
25X-RAY DIFFRACTION25( CHAIN C AND RESID 158:184 )C158 - 184
26X-RAY DIFFRACTION26( CHAIN C AND RESID 185:193 )C185 - 193
27X-RAY DIFFRACTION27( CHAIN C AND RESID 194:206 )C194 - 206
28X-RAY DIFFRACTION28( CHAIN D AND RESID 60:88 )D60 - 88
29X-RAY DIFFRACTION29( CHAIN D AND RESID 89:123 )D89 - 123
30X-RAY DIFFRACTION30( CHAIN D AND RESID 124:139 )D124 - 139
31X-RAY DIFFRACTION31( CHAIN D AND RESID 140:168 )D140 - 168
32X-RAY DIFFRACTION32( CHAIN E AND RESID 1:9 )E1 - 9
33X-RAY DIFFRACTION33( CHAIN E AND RESID 10:23 )E10 - 23
34X-RAY DIFFRACTION34( CHAIN E AND RESID 24:35 )E24 - 35
35X-RAY DIFFRACTION35( CHAIN E AND RESID 36:46 )E36 - 46
36X-RAY DIFFRACTION36( CHAIN E AND RESID 47:60 )E47 - 60
37X-RAY DIFFRACTION37( CHAIN E AND RESID 61:72 )E61 - 72
38X-RAY DIFFRACTION38( CHAIN E AND RESID 73:80 )E73 - 80
39X-RAY DIFFRACTION39( CHAIN E AND RESID 81:85 )E81 - 85
40X-RAY DIFFRACTION40( CHAIN E AND RESID 86:90 )E86 - 90
41X-RAY DIFFRACTION41( CHAIN E AND RESID 91:95 )E91 - 95
42X-RAY DIFFRACTION42( CHAIN E AND RESID 96:102 )E96 - 102
43X-RAY DIFFRACTION43( CHAIN F AND RESID 17:45 )F17 - 45
44X-RAY DIFFRACTION44( CHAIN F AND RESID 46:58 )F46 - 58
45X-RAY DIFFRACTION45( CHAIN F AND RESID 59:66 )F59 - 66
46X-RAY DIFFRACTION46( CHAIN F AND RESID 67:83 )F67 - 83
47X-RAY DIFFRACTION47( CHAIN F AND RESID 84:96 )F84 - 96
48X-RAY DIFFRACTION48( CHAIN F AND RESID 97:112 )F97 - 112
49X-RAY DIFFRACTION49( CHAIN G AND RESID 61:70 )G61 - 70
50X-RAY DIFFRACTION50( CHAIN G AND RESID 71:105 )G71 - 105
51X-RAY DIFFRACTION51( CHAIN G AND RESID 106:118 )G106 - 118
52X-RAY DIFFRACTION52( CHAIN G AND RESID 119:128 )G119 - 128
53X-RAY DIFFRACTION53( CHAIN G AND RESID 129:137 )G129 - 137
54X-RAY DIFFRACTION54( CHAIN G AND RESID 138:146 )G138 - 146
55X-RAY DIFFRACTION55( CHAIN G AND RESID 147:169 )G147 - 169
56X-RAY DIFFRACTION56( CHAIN G AND RESID 170:181 )G170 - 181
57X-RAY DIFFRACTION57( CHAIN G AND RESID 182:195 )G182 - 195
58X-RAY DIFFRACTION58( CHAIN G AND RESID 196:206 )G196 - 206
59X-RAY DIFFRACTION59( CHAIN H AND RESID 60:68 )H60 - 68
60X-RAY DIFFRACTION60( CHAIN H AND RESID 69:84 )H69 - 84
61X-RAY DIFFRACTION61( CHAIN H AND RESID 85:100 )H85 - 100
62X-RAY DIFFRACTION62( CHAIN H AND RESID 101:139 )H101 - 139
63X-RAY DIFFRACTION63( CHAIN H AND RESID 140:161 )H140 - 161
64X-RAY DIFFRACTION64( CHAIN H AND RESID 162:168 )H162 - 168
65X-RAY DIFFRACTION65( CHAIN I AND RESID 1:33 )I1 - 33
66X-RAY DIFFRACTION66( CHAIN I AND RESID 34:51 )I34 - 51
67X-RAY DIFFRACTION67( CHAIN I AND RESID 52:72 )I52 - 72
68X-RAY DIFFRACTION68( CHAIN I AND RESID 73:90 )I73 - 90
69X-RAY DIFFRACTION69( CHAIN I AND RESID 91:102 )I91 - 102
70X-RAY DIFFRACTION70( CHAIN J AND RESID 17:27 )J17 - 27
71X-RAY DIFFRACTION71( CHAIN J AND RESID 28:38 )J28 - 38
72X-RAY DIFFRACTION72( CHAIN J AND RESID 39:46 )J39 - 46
73X-RAY DIFFRACTION73( CHAIN J AND RESID 47:58 )J47 - 58
74X-RAY DIFFRACTION74( CHAIN J AND RESID 59:96 )J59 - 96
75X-RAY DIFFRACTION75( CHAIN J AND RESID 97:112 )J97 - 112
76X-RAY DIFFRACTION76( CHAIN K AND RESID 61:157 )K61 - 157
77X-RAY DIFFRACTION77( CHAIN K AND RESID 158:206 )K158 - 206
78X-RAY DIFFRACTION78( CHAIN L AND RESID 60:68 )L60 - 68
79X-RAY DIFFRACTION79( CHAIN L AND RESID 69:75 )L69 - 75
80X-RAY DIFFRACTION80( CHAIN L AND RESID 76:84 )L76 - 84
81X-RAY DIFFRACTION81( CHAIN L AND RESID 85:106 )L85 - 106
82X-RAY DIFFRACTION82( CHAIN L AND RESID 107:121 )L107 - 121
83X-RAY DIFFRACTION83( CHAIN L AND RESID 122:144 )L122 - 144
84X-RAY DIFFRACTION84( CHAIN L AND RESID 145:168 )L145 - 168
85X-RAY DIFFRACTION85( CHAIN M AND RESID 1:9 )M1 - 9
86X-RAY DIFFRACTION86( CHAIN M AND RESID 10:23 )M10 - 23
87X-RAY DIFFRACTION87( CHAIN M AND RESID 24:35 )M24 - 35
88X-RAY DIFFRACTION88( CHAIN M AND RESID 36:45 )M36 - 45
89X-RAY DIFFRACTION89( CHAIN M AND RESID 46:65 )M46 - 65
90X-RAY DIFFRACTION90( CHAIN M AND RESID 66:70 )M66 - 70
91X-RAY DIFFRACTION91( CHAIN M AND RESID 71:75 )M71 - 75
92X-RAY DIFFRACTION92( CHAIN M AND RESID 76:80 )M76 - 80
93X-RAY DIFFRACTION93( CHAIN M AND RESID 81:85 )M81 - 85
94X-RAY DIFFRACTION94( CHAIN M AND RESID 86:90 )M86 - 90
95X-RAY DIFFRACTION95( CHAIN M AND RESID 91:102 )M91 - 102
96X-RAY DIFFRACTION96( CHAIN N AND RESID 17:27 )N17 - 27
97X-RAY DIFFRACTION97( CHAIN N AND RESID 28:45 )N28 - 45
98X-RAY DIFFRACTION98( CHAIN N AND RESID 46:66 )N46 - 66
99X-RAY DIFFRACTION99( CHAIN N AND RESID 67:99 )N67 - 99
100X-RAY DIFFRACTION100( CHAIN N AND RESID 100:112 )N100 - 112
101X-RAY DIFFRACTION101( CHAIN O AND RESID 61:151 )O61 - 151
102X-RAY DIFFRACTION102( CHAIN O AND RESID 152:181 )O152 - 181
103X-RAY DIFFRACTION103( CHAIN O AND RESID 182:206 )O182 - 206
104X-RAY DIFFRACTION104( CHAIN P AND RESID 60:68 )P60 - 68
105X-RAY DIFFRACTION105( CHAIN P AND RESID 69:75 )P69 - 75
106X-RAY DIFFRACTION106( CHAIN P AND RESID 76:107 )P76 - 107
107X-RAY DIFFRACTION107( CHAIN P AND RESID 108:121 )P108 - 121
108X-RAY DIFFRACTION108( CHAIN P AND RESID 122:145 )P122 - 145
109X-RAY DIFFRACTION109( CHAIN P AND RESID 146:168 )P146 - 168
110X-RAY DIFFRACTION110( CHAIN Q AND RESID 1:23 )Q1 - 23
111X-RAY DIFFRACTION111( CHAIN Q AND RESID 24:35 )Q24 - 35
112X-RAY DIFFRACTION112( CHAIN Q AND RESID 36:61 )Q36 - 61
113X-RAY DIFFRACTION113( CHAIN Q AND RESID 62:71 )Q62 - 71
114X-RAY DIFFRACTION114( CHAIN Q AND RESID 72:91 )Q72 - 91
115X-RAY DIFFRACTION115( CHAIN Q AND RESID 92:102 )Q92 - 102
116X-RAY DIFFRACTION116( CHAIN R AND RESID 17:22 )R17 - 22
117X-RAY DIFFRACTION117( CHAIN R AND RESID 23:27 )R23 - 27
118X-RAY DIFFRACTION118( CHAIN R AND RESID 28:38 )R28 - 38
119X-RAY DIFFRACTION119( CHAIN R AND RESID 39:45 )R39 - 45
120X-RAY DIFFRACTION120( CHAIN R AND RESID 46:58 )R46 - 58
121X-RAY DIFFRACTION121( CHAIN R AND RESID 59:66 )R59 - 66
122X-RAY DIFFRACTION122( CHAIN R AND RESID 67:82 )R67 - 82
123X-RAY DIFFRACTION123( CHAIN R AND RESID 83:87 )R83 - 87
124X-RAY DIFFRACTION124( CHAIN R AND RESID 88:92 )R88 - 92
125X-RAY DIFFRACTION125( CHAIN R AND RESID 93:101 )R93 - 101
126X-RAY DIFFRACTION126( CHAIN R AND RESID 102:112 )R102 - 112
127X-RAY DIFFRACTION127( CHAIN S AND RESID 61:73 )S61 - 73
128X-RAY DIFFRACTION128( CHAIN S AND RESID 74:84 )S74 - 84
129X-RAY DIFFRACTION129( CHAIN S AND RESID 85:105 )S85 - 105
130X-RAY DIFFRACTION130( CHAIN S AND RESID 106:116 )S106 - 116
131X-RAY DIFFRACTION131( CHAIN S AND RESID 117:125 )S117 - 125
132X-RAY DIFFRACTION132( CHAIN S AND RESID 126:135 )S126 - 135
133X-RAY DIFFRACTION133( CHAIN S AND RESID 136:145 )S136 - 145
134X-RAY DIFFRACTION134( CHAIN S AND RESID 146:157 )S146 - 157
135X-RAY DIFFRACTION135( CHAIN S AND RESID 158:169 )S158 - 169
136X-RAY DIFFRACTION136( CHAIN S AND RESID 170:179 )S170 - 179
137X-RAY DIFFRACTION137( CHAIN S AND RESID 180:193 )S180 - 193
138X-RAY DIFFRACTION138( CHAIN S AND RESID 194:206 )S194 - 206
139X-RAY DIFFRACTION139( CHAIN T AND RESID 60:88 )T60 - 88
140X-RAY DIFFRACTION140( CHAIN T AND RESID 89:106 )T89 - 106
141X-RAY DIFFRACTION141( CHAIN T AND RESID 107:140 )T107 - 140
142X-RAY DIFFRACTION142( CHAIN T AND RESID 141:168 )T141 - 168
143X-RAY DIFFRACTION143( CHAIN U AND RESID 1:16 )U1 - 16
144X-RAY DIFFRACTION144( CHAIN U AND RESID 17:34 )U17 - 34
145X-RAY DIFFRACTION145( CHAIN U AND RESID 35:64 )U35 - 64
146X-RAY DIFFRACTION146( CHAIN U AND RESID 65:81 )U65 - 81
147X-RAY DIFFRACTION147( CHAIN U AND RESID 82:96 )U82 - 96
148X-RAY DIFFRACTION148( CHAIN U AND RESID 97:102 )U97 - 102
149X-RAY DIFFRACTION149( CHAIN V AND RESID 17:22 )V17 - 22
150X-RAY DIFFRACTION150( CHAIN V AND RESID 23:27 )V23 - 27
151X-RAY DIFFRACTION151( CHAIN V AND RESID 28:45 )V28 - 45
152X-RAY DIFFRACTION152( CHAIN V AND RESID 46:58 )V46 - 58
153X-RAY DIFFRACTION153( CHAIN V AND RESID 59:66 )V59 - 66
154X-RAY DIFFRACTION154( CHAIN V AND RESID 67:82 )V67 - 82
155X-RAY DIFFRACTION155( CHAIN V AND RESID 83:96 )V83 - 96
156X-RAY DIFFRACTION156( CHAIN V AND RESID 97:112 )V97 - 112
157X-RAY DIFFRACTION157( CHAIN W AND RESID 61:70 )W61 - 70
158X-RAY DIFFRACTION158( CHAIN W AND RESID 71:79 )W71 - 79
159X-RAY DIFFRACTION159( CHAIN W AND RESID 80:106 )W80 - 106
160X-RAY DIFFRACTION160( CHAIN W AND RESID 107:121 )W107 - 121
161X-RAY DIFFRACTION161( CHAIN W AND RESID 122:141 )W122 - 141
162X-RAY DIFFRACTION162( CHAIN W AND RESID 142:152 )W142 - 152
163X-RAY DIFFRACTION163( CHAIN W AND RESID 153:167 )W153 - 167
164X-RAY DIFFRACTION164( CHAIN W AND RESID 168:181 )W168 - 181
165X-RAY DIFFRACTION165( CHAIN W AND RESID 182:194 )W182 - 194
166X-RAY DIFFRACTION166( CHAIN W AND RESID 195:206 )W195 - 206
167X-RAY DIFFRACTION167( CHAIN X AND RESID 60:68 )X60 - 68
168X-RAY DIFFRACTION168( CHAIN X AND RESID 69:88 )X69 - 88
169X-RAY DIFFRACTION169( CHAIN X AND RESID 89:94 )X89 - 94
170X-RAY DIFFRACTION170( CHAIN X AND RESID 95:100 )X95 - 100
171X-RAY DIFFRACTION171( CHAIN X AND RESID 101:121 )X101 - 121
172X-RAY DIFFRACTION172( CHAIN X AND RESID 122:139 )X122 - 139
173X-RAY DIFFRACTION173( CHAIN X AND RESID 140:144 )X140 - 144
174X-RAY DIFFRACTION174( CHAIN X AND RESID 145:168 )X145 - 168

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万見について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月:コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか? / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例:em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る