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5X4J
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BU of 5x4j by Molmil
The crystal structure of Pyrococcus furiosus RecJ (Zn-soaking)
分子名称: CHLORIDE ION, Uncharacterized protein, ZINC ION
著者Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
登録日2017-02-13
公開日2018-02-14
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4K
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BU of 5x4k by Molmil
The complex crystal structure of Pyrococcus furiosus RecJ and CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Uncharacterized protein, ZINC ION
著者Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
登録日2017-02-13
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4H
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BU of 5x4h by Molmil
The crystal structure of Pyrococcus furiosus RecJ (wild-type)
分子名称: MAGNESIUM ION, Uncharacterized protein
著者Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
登録日2017-02-13
公開日2018-02-14
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4I
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BU of 5x4i by Molmil
Pyrococcus furiosus RecJ (D83A, Mn-soaking)
分子名称: CHLORIDE ION, MANGANESE (II) ION, Uncharacterized protein
著者Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
登録日2017-02-13
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
2YAT
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BU of 2yat by Molmil
Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex
分子名称: ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ...
著者Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L.
登録日2011-02-24
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators.
J.Med.Chem., 54, 2011
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPR
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BU of 3tpr by Molmil
Crystal structure of BACE1 complexed with an inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
分子名称: Primase
著者Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
登録日2018-07-16
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
5GM2
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BU of 5gm2 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
分子名称: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
5GM1
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BU of 5gm1 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH
分子名称: O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
3TPP
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BU of 3tpp by Molmil
Crystal structure of BACE1 complexed with an inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
6M2N
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BU of 6m2n by Molmil
SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor
分子名称: 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
著者Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C.
登録日2020-02-28
公開日2020-04-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
6M2Q
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BU of 6m2q by Molmil
SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21)
分子名称: 3C-like proteinase
著者Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C.
登録日2020-02-28
公開日2020-04-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
4L36
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BU of 4l36 by Molmil
Crystal structure of the cytochrome P450 enzyme TxtE
分子名称: HEME B/C, IMIDAZOLE, Putative P450-like protein
著者Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H.
登録日2013-06-05
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE.
Plos One, 8, 2013
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9V
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BU of 8y9v by Molmil
ZIKV NS2B/NS3 protease
分子名称: DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9W
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BU of 8y9w by Molmil
CRYSTAL STRUCTURE OF A LYSOZYME FROM HEN EGG WHITE
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA5
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BU of 8ya5 by Molmil
Mpro from SARS-CoV-2
分子名称: 3C-like proteinase
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA4
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BU of 8ya4 by Molmil
Crystal structure of a lysozyme form hen egg white
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8W4S
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BU of 8w4s by Molmil
Crystal structure of PDE5A in complex with CVT-313
分子名称: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-08-24
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4T
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BU of 8w4t by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-08-24
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8WE3
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BU of 8we3 by Molmil
Crystal structure of human FABP4 complexed with C7
分子名称: 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte
著者Xie, H, Chen, G.F, Xu, Y.C, Li, M.J.
登録日2023-09-16
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020

 

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