6J9O
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5YKN
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![BU of 5ykn by Molmil](/molmil-images/mine/5ykn) | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | Authors: | Yang, Z, Du, J. | Deposit date: | 2017-10-15 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases. Plant Cell, 30, 2018
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5ZZ8
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![BU of 5zz8 by Molmil](/molmil-images/mine/5zz8) | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | Descriptor: | Major capsid protein, UL17, UL25, ... | Authors: | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-05-31 | Release date: | 2018-10-10 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component. Nat Commun, 9, 2018
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6A72
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![BU of 6a72 by Molmil](/molmil-images/mine/6a72) | Copper transporter protein | Descriptor: | ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum | Authors: | Chen, W.B. | Deposit date: | 2018-07-01 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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7Y99
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![BU of 7y99 by Molmil](/molmil-images/mine/7y99) | Crystal Structure Analysis of cp2 bound BCLxl | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-24 | Release date: | 2023-09-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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6A71
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![BU of 6a71 by Molmil](/molmil-images/mine/6a71) | Crystal Structure of Human ATP7B and TM Complex | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chen, W.B. | Deposit date: | 2018-06-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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7YAA
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![BU of 7yaa by Molmil](/molmil-images/mine/7yaa) | Crystal structure analysis of cp3 bound BCLxl | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-27 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7Y90
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![BU of 7y90 by Molmil](/molmil-images/mine/7y90) | Crystal Structure Analysis of cp1 bound BCL2 | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | Authors: | Li, F.W. | Deposit date: | 2022-06-24 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7Y8D
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![BU of 7y8d by Molmil](/molmil-images/mine/7y8d) | Crystal structure of cp1 bound BCLxl | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YA5
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![BU of 7ya5 by Molmil](/molmil-images/mine/7ya5) | Crystal structure analysis of cp1 bound BCL2/G101V | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-27 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YB7
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![BU of 7yb7 by Molmil](/molmil-images/mine/7yb7) | anti-apoptotic protein BCL-2-M12 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | Authors: | Li, F.W, Liu, C, Wu, D.L. | Deposit date: | 2022-06-29 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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3FI3
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![BU of 3fi3 by Molmil](/molmil-images/mine/3fi3) | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E, Duckett, D, LoGrasso, P. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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3FI2
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![BU of 3fi2 by Molmil](/molmil-images/mine/3fi2) | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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5Y9V
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![BU of 5y9v by Molmil](/molmil-images/mine/5y9v) | Crystal structure of diamondback moth ryanodine receptor N-terminal domain | Descriptor: | CHLORIDE ION, GLYCEROL, Ryanodine receptor 1 | Authors: | Lin, L, Yuchi, Z. | Deposit date: | 2017-08-28 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Crystal structure of ryanodine receptor N-terminal domain from Plutella xylostella reveals two potential species-specific insecticide-targeting sites. Insect Biochem. Mol. Biol., 92, 2017
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3FV8
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![BU of 3fv8 by Molmil](/molmil-images/mine/3fv8) | JNK3 bound to piperazine amide inhibitor, SR2774. | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E. | Deposit date: | 2009-01-15 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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6INM
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![BU of 6inm by Molmil](/molmil-images/mine/6inm) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-26 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMB
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![BU of 6imb by Molmil](/molmil-images/mine/6imb) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X, Su, H, Xu, Y. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMI
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![BU of 6imi by Molmil](/molmil-images/mine/6imi) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X, Su, H, Xu, Y. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMR
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![BU of 6imr by Molmil](/molmil-images/mine/6imr) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6INK
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![BU of 6ink by Molmil](/molmil-images/mine/6ink) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-25 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMD
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![BU of 6imd by Molmil](/molmil-images/mine/6imd) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X, Su, H, Xu, Y. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IND
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![BU of 6ind by Molmil](/molmil-images/mine/6ind) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-24 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IM6
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![BU of 6im6 by Molmil](/molmil-images/mine/6im6) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMT
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![BU of 6imt by Molmil](/molmil-images/mine/6imt) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMO
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![BU of 6imo by Molmil](/molmil-images/mine/6imo) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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