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PDB: 89111 件
7GS3
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BU of 7gs3 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-26
分子名称: (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
8A4N
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BU of 8a4n by Molmil
Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
7W22
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BU of 7w22 by Molmil
Structure of the M. tuberculosis HtrA K436A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
3L3K
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BU of 3l3k by Molmil
Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-17
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
7GRZ
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BU of 7grz by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-22
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7W25
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BU of 7w25 by Molmil
Structure of the M. tuberculosis HtrA S413A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7GS5
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BU of 7gs5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-28
分子名称: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
4Y2H
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BU of 4y2h by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor
分子名称: GLYCEROL, N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-09
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
7GS2
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BU of 7gs2 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-25
分子名称: 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRH
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BU of 7grh by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-4
分子名称: 3C-like proteinase nsp5, 5-chloropyridin-3-ol, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS6
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BU of 7gs6 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-29
分子名称: (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7W23
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BU of 7w23 by Molmil
Structure of the M. tuberculosis HtrA S363A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7GRP
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BU of 7grp by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-12
分子名称: 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRG
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BU of 7grg by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-3
分子名称: 3,5-dichloropyridin-4-amine, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRK
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BU of 7grk by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-7
分子名称: (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
3KIV
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BU of 3kiv by Molmil
RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A)
分子名称: 6-AMINOHEXANOIC ACID, APOLIPOPROTEIN
著者Mochalkin, I, Tulinsky, A, Scanu, A.
登録日1998-09-08
公開日1999-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
7W24
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BU of 7w24 by Molmil
Structure of the M. tuberculosis HtrA N383A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7GRT
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BU of 7grt by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-16
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRR
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BU of 7grr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-14
分子名称: 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
5CCK
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BU of 5cck by Molmil
Crystal structure of Human anti-HIV-1 broadly neutralizing antibody 3BC315 Fab
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Antibody 3BC315 Fab heavy chain, Antibody 3BC315 Fab light chain
著者Lee, J.H, Ward, A.B, Wilson, I.A.
登録日2015-07-02
公開日2015-10-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibodies to a conformational epitope on gp41 neutralize HIV-1 by destabilizing the Env spike.
Nat Commun, 6, 2015
7GRI
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BU of 7gri by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-5
分子名称: (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRY
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BU of 7gry by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-21
分子名称: 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7VZ0
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BU of 7vz0 by Molmil
Structure of the M. tuberculosis HtrA S407A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7GRL
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BU of 7grl by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-8
分子名称: 3C-like proteinase nsp5, 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRO
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BU of 7gro by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-11
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024

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件を2024-09-11に公開中

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