1TX7
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![BU of 1tx7 by Molmil](/molmil-images/mine/1tx7) | Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA) | Descriptor: | (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID, CALCIUM ION, Trypsinogen | Authors: | Cui, J, Marankan, F, Fu, W, Crich, D, Mesecar, A, Johnson, M.E. | Deposit date: | 2004-07-02 | Release date: | 2005-09-20 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An oxyanion-hole selective serine protease inhibitor in complex with trypsin. Bioorg.Med.Chem., 10, 2002
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7VDO
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![BU of 7vdo by Molmil](/molmil-images/mine/7vdo) | Crystal structure of KRED F147L/L153Q/Y190P variant | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-09-07 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85571563 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7VE7
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![BU of 7ve7 by Molmil](/molmil-images/mine/7ve7) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-09-08 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.720007 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJH
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![BU of 7ejh by Molmil](/molmil-images/mine/7ejh) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex | Descriptor: | 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72883928 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJJ
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![BU of 7ejj by Molmil](/molmil-images/mine/7ejj) | Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.80000663 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJI
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![BU of 7eji by Molmil](/molmil-images/mine/7eji) | Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.560016 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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4HCN
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![BU of 4hcn by Molmil](/molmil-images/mine/4hcn) | Crystal structure of Burkholderia pseudomallei effector protein CHBP in complex with ubiquitin | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Yao, Q, Cui, J, Zhu, Y, Shao, F. | Deposit date: | 2012-09-30 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis. Proc.Natl.Acad.Sci.USA, 109, 2012
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8D8R
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![BU of 8d8r by Molmil](/molmil-images/mine/8d8r) | SARS-CoV-2 Spike RBD in complex with DMAb 2196 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ... | Authors: | Du, J, Cui, J, Pallesen, J. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2. Nat Commun, 13, 2022
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8D8Q
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![BU of 8d8q by Molmil](/molmil-images/mine/8d8q) | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | Authors: | Du, J, Cui, J, Pallesen, J. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2. Nat Commun, 13, 2022
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1R0P
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![BU of 1r0p by Molmil](/molmil-images/mine/1r0p) | Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met in complex with the microbial alkaloid K-252a | Descriptor: | Hepatocyte growth factor receptor, K-252A | Authors: | Schiering, N, Knapp, S, Marconi, M, Flocco, M.M, Cui, J, Perego, R, Rusconi, L, Cristiani, C. | Deposit date: | 2003-09-22 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a Proc.Natl.Acad.Sci.USA, 100, 2003
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1R1W
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![BU of 1r1w by Molmil](/molmil-images/mine/1r1w) | CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET | Descriptor: | HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | Schiering, N, Knapp, S, Marconi, M, Flocco, M.M, Cui, J, Perego, R, Rusconi, L, Cristiani, C. | Deposit date: | 2003-09-25 | Release date: | 2003-10-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a Proc.Natl.Acad.Sci.USA, 100, 2003
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5WRR
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![BU of 5wrr by Molmil](/molmil-images/mine/5wrr) | Crystal structure of Fam20A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pseudokinase FAM20A | Authors: | Zhu, Q. | Deposit date: | 2016-12-03 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Structure of Fam20A reveals a pseudokinase featuring a unique disulfide pattern and inverted ATP-binding Elife, 6, 2017
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5WRS
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![BU of 5wrs by Molmil](/molmil-images/mine/5wrs) | Crystal Structure of Fam20A in complex with ATP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhu, Q. | Deposit date: | 2016-12-03 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of Fam20A reveals a pseudokinase featuring a unique disulfide pattern and inverted ATP-binding Elife, 6, 2017
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7W36
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![BU of 7w36 by Molmil](/molmil-images/mine/7w36) | |
4HCP
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![BU of 4hcp by Molmil](/molmil-images/mine/4hcp) | |
3MK6
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![BU of 3mk6 by Molmil](/molmil-images/mine/3mk6) | Substrate and Inhibitor Binding to Pank | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | Authors: | Yun, M.-K, White, S.W. | Deposit date: | 2010-04-14 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain. Chem.Biol., 17, 2010
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8XB0
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![BU of 8xb0 by Molmil](/molmil-images/mine/8xb0) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Tong, S.L, Zhang, G.P. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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8XAR
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![BU of 8xar by Molmil](/molmil-images/mine/8xar) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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6V5A
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![BU of 6v5a by Molmil](/molmil-images/mine/6v5a) | Crystal structure of the human BK channel gating ring L390P mutant | Descriptor: | CALCIUM ION, Calcium-activated potassium channel subunit alpha-1, SULFATE ION | Authors: | Deng, Z, Yuan, P. | Deposit date: | 2019-12-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Coupling of Ca2+and voltage activation in BK channels through the alpha B helix/voltage sensor interface. Proc.Natl.Acad.Sci.USA, 117, 2020
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4Q9V
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![BU of 4q9v by Molmil](/molmil-images/mine/4q9v) | Crystal structure of TIPE3 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3 | Authors: | Wu, J, Zhang, X, Chen, Y.H, Shi, Y. | Deposit date: | 2014-05-02 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer. Cancer Cell, 26, 2014
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5YSX
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![BU of 5ysx by Molmil](/molmil-images/mine/5ysx) | Structure of P domain of GII.2 Noroviruses | Descriptor: | VP1 | Authors: | Duan, Z, Ao, Y. | Deposit date: | 2017-11-16 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.202 Å) | Cite: | Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China. J. Infect. Dis., 218, 2018
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3BEJ
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![BU of 3bej by Molmil](/molmil-images/mine/3bej) | Structure of human FXR in complex with MFA-1 and co-activator peptide | Descriptor: | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Soisson, S.M, Parthasarathy, G, Becker, J.W. | Deposit date: | 2007-11-19 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6MIE
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![BU of 6mie by Molmil](/molmil-images/mine/6mie) | Solution NMR structure of the KCNQ1 voltage-sensing domain | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | Authors: | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | Deposit date: | 2018-09-19 | Release date: | 2020-03-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state. Elife, 9, 2020
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5XOO
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![BU of 5xoo by Molmil](/molmil-images/mine/5xoo) | The structure of hydra Fam20 with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE, Glycosaminoglycan xylosylkinase, ... | Authors: | Zhang, H, Xiao, J. | Deposit date: | 2017-05-29 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and evolution of the Fam20 kinases Nat Commun, 9, 2018
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5XOM
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![BU of 5xom by Molmil](/molmil-images/mine/5xom) | Hydra Fam20 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosaminoglycan xylosylkinase | Authors: | Xiao, J, Zhang, H. | Deposit date: | 2017-05-29 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and evolution of the Fam20 kinases Nat Commun, 9, 2018
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