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8DP9
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Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini
分子名称: AvrM14-B, SULFATE ION
著者McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
登録日2022-07-15
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
7P3R
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Helical structure of the toxin MakA from Vibrio cholera
分子名称: MakA tetramer
著者Berg, A, Nadeem, A, Uhlin, B.E, Wai, S.N, Barandun, J.
登録日2021-07-08
公開日2022-02-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Protein-lipid interaction at low pH induces oligomerization of the MakA cytotoxin from Vibrio cholerae .
Elife, 11, 2022
8WLS
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Bcl-xL in complex with HBx BH3 delta C peptide
分子名称: Bcl-2-like protein 1, Protein X
著者Kobayashi, N, Nagata, T, Kusunoki, H.
登録日2023-10-01
公開日2024-03-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into the Interaction between the C-Terminal-Deleted BH3-like Motif Peptide of Hepatitis B Virus X Protein and Bcl-x L.
Biochemistry, 63, 2024
6CPZ
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Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, ...
著者Chen, Q, Rozovsky, S.
登録日2018-03-14
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6G7F
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Yeast 20S proteasome in complex with Cystargolide B
分子名称: CHLORIDE ION, Cystargolide B- bound form, MAGNESIUM ION, ...
著者Groll, M, Tello-Aburto, R.
登録日2018-04-05
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
6OV6
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CRYSTALLOGRAPHIC STRUCTURE OF THE C24 PROTEIN FROM THE ANTARCTIC MICROORGANISM BIZIONIA ARGENTINENSIS
分子名称: C24 PROTEIN, MANGANESE (II) ION
著者Klinke, S, Rinaldi, J, Guimaraes, B.G, Pellizza, L, Aran, M.
登録日2019-05-07
公開日2020-08-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of the putative long tail fiber receptor-binding tip of a novel temperate bacteriophage from the Antarctic bacterium Bizionia argentinensis JUB59.
J.Struct.Biol., 212, 2020
7LWS
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UK (B.1.1.7) SARS-CoV-2 S-GSAS-D614G variant spike protein in the 3-RBD-down conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation and antigenicity.
Biorxiv, 2021
1GTQ
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6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
分子名称: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, ZINC ION
著者Nar, H, Huber, R, Heizmann, C.W, Thoeny, B, Buergisser, D.
登録日1995-09-16
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of 6-pyruvoyl tetrahydropterin synthase, an enzyme involved in tetrahydrobiopterin biosynthesis.
EMBO J., 13, 1994
4WZE
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Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type Ley (tetraglycan)
分子名称: ACETATE ION, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Singh, B.K, Hansman, G.S.
登録日2014-11-19
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
7UPJ
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HIV-1 PROTEASE/U101935 COMPLEX
分子名称: HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
著者Watenpaugh, K.D, Janakiraman, M.N.
登録日1996-12-05
公開日1997-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
6H12
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Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea
分子名称: 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-07-10
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
8AOI
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Specific covalent inhibitor(19) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
1H10
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HIGH RESOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE
著者Thomas, C.C, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2002-07-01
公開日2003-06-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structure of the Pleckstrin Homology Domain of Protein Kinase B/Akt Bound to Phosphatidylinositol (3,4,5)-Trisphosphate
Curr.Biol., 12, 2002
6G94
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Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
6FQS
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BU of 6fqs by Molmil
3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA
分子名称: 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D, Germe, T, Basque, E, Maxwell, A.
登録日2018-02-14
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
6CBM
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x-ray structure of NeoB from streptomyces fradiae in complex with PLP and neomycin (as the external aldimine) at pH 9
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Thoden, J.B, Dow, G.T, Holden, H.M.
登録日2018-02-03
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
2WIN
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C3 convertase (C3bBb) stabilized by SCIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, ...
著者Wu, J, Janssen, B.J, Gros, P.
登録日2009-05-13
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural and functional implications of the alternative complement pathway C3 convertase stabilized by a staphylococcal inhibitor.
Nat. Immunol., 10, 2009
6CNE
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Selenomethionine variant (V29SeM) of protein GB1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, PHOSPHATE ION
著者Chen, Q.
登録日2018-03-08
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
5WK4
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BU of 5wk4 by Molmil
Crystal structure of an anti-idiotype VLR
分子名称: MAGNESIUM ION, Variable lymphocyte receptor 39
著者Collins, B.C, Nakahara, H, Cooper, M.D, Herrin, B.R, Wilson, I.A.
登録日2017-07-24
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Crystal structure of an anti-idiotype variable lymphocyte receptor.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6GLA
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Crystal structure of JAK3 in complex with Compound 11 (FM481)
分子名称: (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ...
著者Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-05-23
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
J. Med. Chem., 61, 2018
6WH9
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Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10
分子名称: 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ...
著者Cogan, D.P, Mathews, I.I, Khosla, C.
登録日2020-04-07
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
7UPY
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An antibody from single human VH-rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
登録日2022-04-18
公開日2022-08-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
5KPK
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Glycogen Synthase Kinase 3 beta Complexed with BRD0209
分子名称: (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
登録日2016-07-04
公開日2018-03-14
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
7UPW
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Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
登録日2022-04-18
公開日2022-08-10
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
4BNA
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REVERSIBLE BENDING AND HELIX GEOMETRY IN A B-DNA DODECAMER: CGCGAATTBRCGCG
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3')
著者Kopka, M.L, Fratini, A.V, Dickerson, R.E.
登録日1982-02-16
公開日1982-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reversible bending and helix geometry in a B-DNA dodecamer: CGCGAATTBrCGCG.
J.Biol.Chem., 257, 1982

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