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4Z9P
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Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution
分子名称: Nucleoprotein
著者Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H.
登録日2015-04-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
分子名称: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
著者Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
登録日2019-01-05
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
7CJL
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Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
分子名称: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y.
登録日2020-07-11
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
7YHB
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Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
分子名称: Beta-lactamase class B VIM-2, ZINC ION, [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHA
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Crystal structure of IMP-1 MBL in complex with (3-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
分子名称: Beta-lactamase class B IMP-1, ZINC ION, [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHC
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Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
分子名称: 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHD
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Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
分子名称: 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YH9
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Crystal structure of IMP-1 MBL in complex with 3-(4-benzyl-1H-1,2,3-triazol-1-yl)phthalic acid
分子名称: 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B IMP-1, ZINC ION
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7CHV
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Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
分子名称: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
7DML
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OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
分子名称: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
著者Li, G.-B, Yan, Y.-H.
登録日2020-12-04
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7E9A
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Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
分子名称: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-03-03
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
5F5M
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BU of 5f5m by Molmil
Crystal structure of Marburg virus nucleoprotein core domain
分子名称: Nucleoprotein
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
5F5O
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Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide
分子名称: Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
2LQH
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BU of 2lqh by Molmil
NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2b3l conformation)
分子名称: CREB-binding protein, Forkhead box O3
著者Wang, F, Marshall, C.B, Yamamoto, K, Li, G.B, Gasmi-Seabrook, G.M.C, Okada, H, Mak, T.W, Ikura, M.
登録日2012-03-06
公開日2012-05-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment.
Proc.Natl.Acad.Sci.USA, 109, 2012
2LQI
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NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2l3b conformation)
分子名称: CREB-binding protein, Forkhead box O3
著者Wang, F, Marshall, C.B, Yamamoto, K, Li, G.B, Gasmi-Seabrook, G.M.C, Okada, H, Mak, T.W, Ikura, M.
登録日2012-03-06
公開日2012-05-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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