5X4J
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![BU of 5x4j by Molmil](/molmil-images/mine/5x4j) | The crystal structure of Pyrococcus furiosus RecJ (Zn-soaking) | Descriptor: | CHLORIDE ION, Uncharacterized protein, ZINC ION | Authors: | 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. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5X4K
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![BU of 5x4k by Molmil](/molmil-images/mine/5x4k) | The complex crystal structure of Pyrococcus furiosus RecJ and CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Uncharacterized protein, ZINC ION | Authors: | 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. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5X4H
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![BU of 5x4h by Molmil](/molmil-images/mine/5x4h) | The crystal structure of Pyrococcus furiosus RecJ (wild-type) | Descriptor: | MAGNESIUM ION, Uncharacterized protein | Authors: | 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. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5X4I
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![BU of 5x4i by Molmil](/molmil-images/mine/5x4i) | Pyrococcus furiosus RecJ (D83A, Mn-soaking) | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Uncharacterized protein | Authors: | 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. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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2YAT
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![BU of 2yat by Molmil](/molmil-images/mine/2yat) | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | Descriptor: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | Authors: | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | Deposit date: | 2011-02-24 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | 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
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3TPJ
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![BU of 3tpj by Molmil](/molmil-images/mine/3tpj) | APO structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | 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
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3TPL
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![BU of 3tpl by Molmil](/molmil-images/mine/3tpl) | APO Structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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3TPR
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![BU of 3tpr by Molmil](/molmil-images/mine/3tpr) | Crystal structure of BACE1 complexed with an inhibitor | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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6A9W
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![BU of 6a9w by Molmil](/molmil-images/mine/6a9w) | Structure of the bifunctional DNA primase-polymerase from phage NrS-1 | Descriptor: | Primase | Authors: | Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H. | Deposit date: | 2018-07-16 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1. Biochem. Biophys. Res. Commun., 510, 2019
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5GM2
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![BU of 5gm2 by Molmil](/molmil-images/mine/5gm2) | Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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5GM1
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![BU of 5gm1 by Molmil](/molmil-images/mine/5gm1) | Crystal structure of methyltransferase TleD complexed with SAH | Descriptor: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | 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. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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3TPP
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![BU of 3tpp by Molmil](/molmil-images/mine/3tpp) | Crystal structure of BACE1 complexed with an inhibitor | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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6M2N
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![BU of 6m2n by Molmil](/molmil-images/mine/6m2n) | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | Descriptor: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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6M2Q
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![BU of 6m2q by Molmil](/molmil-images/mine/6m2q) | SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | Descriptor: | 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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4L36
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![BU of 4l36 by Molmil](/molmil-images/mine/4l36) | Crystal structure of the cytochrome P450 enzyme TxtE | Descriptor: | HEME B/C, IMIDAZOLE, Putative P450-like protein | Authors: | Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H. | Deposit date: | 2013-06-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE. Plos One, 8, 2013
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8YA1
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![BU of 8ya1 by Molmil](/molmil-images/mine/8ya1) | HEN EGG WHITE LYSOZYME | Descriptor: | Lysozyme C | Authors: | Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H. | Deposit date: | 2024-02-07 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF To Be Published
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8Y9V
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![BU of 8y9v by Molmil](/molmil-images/mine/8y9v) | ZIKV NS2B/NS3 protease | Descriptor: | DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B | Authors: | Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S. | Deposit date: | 2024-02-07 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF To Be Published
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8Y9W
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![BU of 8y9w by Molmil](/molmil-images/mine/8y9w) | |
8YA5
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![BU of 8ya5 by Molmil](/molmil-images/mine/8ya5) | |
8YA4
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![BU of 8ya4 by Molmil](/molmil-images/mine/8ya4) | |
8W4S
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![BU of 8w4s by Molmil](/molmil-images/mine/8w4s) | Crystal structure of PDE5A in complex with CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
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![BU of 8w4t by Molmil](/molmil-images/mine/8w4t) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8WE3
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![BU of 8we3 by Molmil](/molmil-images/mine/8we3) | Crystal structure of human FABP4 complexed with C7 | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | Deposit date: | 2023-09-16 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
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6LJS
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![BU of 6ljs by Molmil](/molmil-images/mine/6ljs) | Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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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6LJX
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![BU of 6ljx by Molmil](/molmil-images/mine/6ljx) | Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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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