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PDB: 172 件

2GAS
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BU of 2gas by Molmil
Crystal Structure of Isoflavone Reductase
分子名称: isoflavone reductase
著者Wang, X, He, X, Lin, J, Shao, H, Chang, Z, Dixon, R.A.
登録日2006-03-09
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Isoflavone Reductase from Alfalfa (Medicago sativa L.)
J.Mol.Biol., 358, 2006
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
著者Li, Z, Yu, F, Cao, S, ZHao, H.
登録日2023-01-17
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
2P4H
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BU of 2p4h by Molmil
Crystal Structure of Vestitone Reductase from Alfalfa (Medicago sativa L.)
分子名称: Vestitone reductase
著者Wang, X, Shao, H, Dixon, R.A.
登録日2007-03-12
公開日2007-05-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Vestitone Reductase from Alfalfa (Medicago sativa L.).
J.Mol.Biol., 369, 2007
8FMV
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BU of 8fmv by Molmil
Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-2HT/ATP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Tang, Q, Mchaourab, H.
登録日2022-12-24
公開日2023-11-15
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8FHK
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Heterodimeric ABC transporter BmrCD in the occluded conformation bound to ATP: BmrCD_OC-ATP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tang, Q, Mchaourab, H.
登録日2022-12-14
公開日2023-11-15
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
3B8Q
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Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
分子名称: N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
登録日2007-11-01
公開日2008-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008
3B8R
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Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
分子名称: 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
登録日2007-11-01
公開日2008-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors
J.Med.Chem., 51, 2008
3BE2
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BU of 3be2 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
分子名称: N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H.
登録日2007-11-16
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
3EFL
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BU of 3efl by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with motesanib
分子名称: N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide, Vascular endothelial growth factor receptor 2
著者Kim, J.L, Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-09-09
公開日2009-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Motesanib
To be Published
3CPB
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BU of 3cpb by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor
分子名称: N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3DTW
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BU of 3dtw by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor
分子名称: 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-07-16
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CPC
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BU of 3cpc by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CP9
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BU of 3cp9 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
8SZC
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BU of 8szc by Molmil
Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-1HT/ATP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Tang, Q, Mchaourab, H.
登録日2023-05-29
公開日2023-11-15
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8T3K
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BU of 8t3k by Molmil
Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH, ...
著者Tang, Q, Mchaourab, H.
登録日2023-06-07
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
分子名称: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
登録日2011-10-12
公開日2012-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXC
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BU of 8hxc by Molmil
Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXA
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BU of 8hxa by Molmil
Cryo-EM structure of MPXV M2 in complex with human B7.1
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD80
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
7EJH
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BU of 7ejh by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex
分子名称: 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72883928 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJJ
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Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.80000663 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJI
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Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.560016 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022

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