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X線構造因子データを含む全てのPDBエントリー
4YD0
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BU of 4yd0 by Molmil
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
分子名称: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-02-20
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4YD1
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BU of 4yd1 by Molmil
Ternary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate and an incoming nonhydrolyzable dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ...
著者Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2015-02-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YD2
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BU of 4yd2 by Molmil
Nicked complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ...
著者Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2015-02-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.471 Å)
主引用文献Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YD3
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BU of 4yd3 by Molmil
Endothiapepsin in complex with fragment 224
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD4
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BU of 4yd4 by Molmil
Endothiapepsin in complex with fragment 227
分子名称: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD5
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BU of 4yd5 by Molmil
Endothiapepsin in complex with fragment 236
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.209 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD6
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BU of 4yd6 by Molmil
Endothiapepsin in complex with fragment 240
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-21
公開日2016-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD7
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BU of 4yd7 by Molmil
Endothiapepsin in complex with fragment 255
分子名称: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-21
公開日2016-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD8
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BU of 4yd8 by Molmil
Bardet-Biedl Syndrome 9 Protein (aa1-407), Homo sapiens
分子名称: Protein PTHB1
著者Knockenhauer, K.E, Schwartz, T.U.
登録日2015-02-21
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Characterization of Bardet-Biedl Syndrome 9 Protein (BBS9).
J.Biol.Chem., 290, 2015
4YD9
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BU of 4yd9 by Molmil
Crystal structure of squid hemocyanin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Matsuno, A, Gai, Z, Kato, K, Tanaka, Y, Yao, M.
登録日2015-02-21
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of the 3.8-MDa Respiratory Supermolecule Hemocyanin at 3.0 angstrom Resolution
Structure, 23, 2015
4YDA
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BU of 4yda by Molmil
Crystal structure of R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal at 1.95 angstrom - after 1hour visible light irradiation - 3rd cycle
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-21
公開日2016-02-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
4YDB
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BU of 4ydb by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.03 angstrom -UV irradiated crystal- 3rd cycle
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-21
公開日2016-02-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
登録日2015-02-21
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
4YDE
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BU of 4yde by Molmil
CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE BINARY COMPLEX WITH THE ISOPRENOID FARNESYLDIPHOSPHATE
分子名称: (3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate, 1,2-ETHANEDIOL, Protein farnesyltransferase/geranylgeranyltransferase type-1 Subunit beta, ...
著者Kumar, S, Mabanglo, M.F, Hast, M.A, Shi, Y, Beese, L.S.
登録日2015-02-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE BINARY COMPLEX WITH THE ISOPRENOID FARNESYLDIPHOSPHATE
To Be Published
4YDF
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BU of 4ydf by Molmil
Crystal structure of compound 9 in complex with HTLV-1 Protease
分子名称: HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
4YDG
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BU of 4ydg by Molmil
Crystal structure of compound 10 in complex with HTLV-1 Protease
分子名称: HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
4YDH
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BU of 4ydh by Molmil
The structure of human FMNL1 N-terminal domains bound to Cdc42
分子名称: Cell division control protein 42 homolog, Formin-like protein 1, MAGNESIUM ION, ...
著者Kuhn, S, Anand, K, Geyer, M.
登録日2015-02-22
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The structure of FMNL2-Cdc42 yields insights into the mechanism of lamellipodia and filopodia formation.
Nat Commun, 6, 2015
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.452 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YDJ
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BU of 4ydj by Molmil
Crystal structure of broadly and potently neutralizing antibody 44-VRC13.01 in complex with HIV-1 clade AE strain 93TH057 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YDK
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BU of 4ydk by Molmil
Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 gp120
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, T, Moquin, S, Zheng, A, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YDL
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BU of 4ydl by Molmil
Crystal structure of broadly and potently neutralizing antibody C38-VRC18.02 in complex with HIV-1 clade AE strain 93TH057gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YDM
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BU of 4ydm by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
4YDN
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BU of 4ydn by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
4YDO
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BU of 4ydo by Molmil
CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE IN APO FORM
分子名称: CALCIUM ION, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, Uncharacterized protein, ...
著者Kumar, S, Mabanglo, M.F, Hast, M.A, Shi, Y, Beese, L.S.
登録日2015-02-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE IN APO FORM
To Be Published
4YDP
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BU of 4ydp by Molmil
Crystal structure of N-terminal PDZ domain of ZASP in complex with myotilin C-terminal peptide.
分子名称: GLUTAMIC ACID, LEUCINE, LIM domain-binding protein 3
著者Grishkovskaya, I, Onipe, A, Kontaxis, G, Djinovic-Carugo, K.
登録日2015-02-22
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of N-terminal PDZ domain of ZASP in complex with myotilin C-terminal peptide.
To Be Published

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