5J9S
 
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6X9R
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8WMI
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8CTB
 | | Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ... | | 著者 | Gunn, R.J, Lawson, J.D, Smith, C.R. | | 登録日 | 2022-05-13 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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8WM4
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7MT5
 | | Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) | | 分子名称: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ... | | 著者 | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | 登録日 | 2021-05-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8WML
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7MT6
 | | Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI) | | 分子名称: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | | 著者 | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | 登録日 | 2021-05-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6XY2
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8WMC
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5HQC
 | | A Glycoside Hydrolase Family 97 enzyme R171K variant from Pseudoalteromonas sp. strain K8 | | 分子名称: | CALCIUM ION, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Li, J, He, C, Xiao, Y. | | 登録日 | 2016-01-21 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
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8COB
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7NUW
 | | Crystal structure of the TIR domain of human TLR1 (crystallised with Zn2+ ions) | | 分子名称: | Toll-like receptor 1 | | 著者 | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | | 登録日 | 2021-03-15 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
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2BDN
 | | Crystal structure of human MCP-1 bound to a blocking antibody, 11K2 | | 分子名称: | Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2 | | 著者 | Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V. | | 登録日 | 2005-10-20 | | 公開日 | 2006-06-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody.
Protein Eng.Des.Sel., 19, 2006
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5AZC
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7NZN
 | | Structure of RET kinase domain bound to inhibitor JB-48 | | 分子名称: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | 著者 | Briggs, D.C, McDonald, N.Q. | | 登録日 | 2021-03-24 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | 分子名称: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | 登録日 | 2012-11-12 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXL
 | | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | | 分子名称: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | 登録日 | 2012-11-12 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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5AZB
 | | Crystal structure of Escherichia coli Lgt in complex with phosphatidylglycerol and the inhibitor palmitic acid | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, PALMITIC ACID, Prolipoprotein diacylglyceryl transferase, ... | | 著者 | Zhang, X.C, Mao, G, Zhao, Y. | | 登録日 | 2015-09-30 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of E. coli lipoprotein diacylglyceryl transferase
Nat Commun, 7, 2016
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6K32
 | | RdRp complex | | 分子名称: | 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ... | | 著者 | Li, X.W. | | 登録日 | 2019-05-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
J.Mol.Biol., 432, 2020
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6KI7
 | | Pyrophosphatase mutant K30R from Acinetobacter baumannii | | 分子名称: | Inorganic pyrophosphatase | | 著者 | Su, J. | | 登録日 | 2019-07-17 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
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5BPP
 | | Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ | | 分子名称: | 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ... | | 著者 | Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q. | | 登録日 | 2015-05-28 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
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6K21
 | | Pyrophosphatase from Acinetobacter baumannii | | 分子名称: | Inorganic pyrophosphatase, MAGNESIUM ION, SODIUM ION | | 著者 | Su, J. | | 登録日 | 2019-05-13 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
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6K27
 | | Pyrophosphatase with PPi from Acinetobacter baumannii | | 分子名称: | DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION | | 著者 | Su, J. | | 登録日 | 2019-05-13 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
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6KI8
 | | Pyrophosphatase mutant K149R from Acinetobacter baumannii | | 分子名称: | DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION | | 著者 | Su, J. | | 登録日 | 2019-07-17 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
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