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2ZJF
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BU of 2zjf by Molmil
Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor
分子名称: 1,3-DIPHENYLUREA, ACETATE ION, Probable epoxide hydrolase ephB
著者Biswal, B.K, TB Structural Genomics Consortium (TBSGC)
登録日2008-03-07
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
J.Mol.Biol., 381, 2008
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
分子名称: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-30
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
分子名称: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-29
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
4KV5
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BU of 4kv5 by Molmil
scFv GC1009 in complex with TGF-beta1.
分子名称: Single-chain variable fragment GC1009, Transforming growth factor beta-1 proprotein
著者Wei, R, Moulin, A.G, Mathieu, M.
登録日2013-05-22
公開日2014-09-24
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
6XP6
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BU of 6xp6 by Molmil
3C11-DQ2-glia-a2 complex
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, 3.C11 IgH Fab, ...
著者Petersen, J, Rossjohn, J.
登録日2020-07-08
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation.
Sci Immunol, 6, 2021
5J20
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BU of 5j20 by Molmil
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-29
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J2V
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BU of 5j2v by Molmil
Crystal Structure of Hsp90-alpha Apo N-domain
分子名称: Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-30
公開日2017-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6L
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BU of 5j6l by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide
分子名称: Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
著者Amaral, M, Matias, P.
登録日2016-04-05
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J64
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BU of 5j64 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-04
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J86
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BU of 5j86 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide
分子名称: 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-07
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6M
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BU of 5j6m by Molmil
Crystal Structure of Hsp90-alpha N-domain L107 mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-05
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J8M
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BU of 5j8m by Molmil
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-08
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J80
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BU of 5j80 by Molmil
Crystal Structure of Apo Hsp90-alpha N-domain L107A mutant
分子名称: Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-07
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J9X
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BU of 5j9x by Molmil
HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide
分子名称: DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
著者Amaral, M, Matias, P.
登録日2016-04-11
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
4KXZ
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BU of 4kxz by Molmil
crystal structure of tgfb2 in complex with GC2008.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GC1008 Heavy Chain, ...
著者Mathieu, M, Moulin, A.G, Wei, R.
登録日2013-05-28
公開日2014-09-24
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
5J8U
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BU of 5j8u by Molmil
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-08
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J2X
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BU of 5j2x by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-30
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J27
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BU of 5j27 by Molmil
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-29
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6N
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BU of 5j6n by Molmil
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-05
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J82
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BU of 5j82 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-isopropyl-N-methyl-benzenesulfonamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-07
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
分子名称: Transforming growth factor beta-2 proprotein
著者Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
登録日2018-11-23
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
7PGX
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BU of 7pgx by Molmil
Structure of dark-adapted AsLOV2 wild type
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gelfert, R, Weyand, M, Moeglich, A.
登録日2021-08-16
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022

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