5C1W
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![BU of 5c1w by Molmil](/molmil-images/mine/5c1w) | PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine | Descriptor: | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5BX0
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![BU of 5bx0 by Molmil](/molmil-images/mine/5bx0) | |
5C04
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![BU of 5c04 by Molmil](/molmil-images/mine/5c04) | |
5C2A
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![BU of 5c2a by Molmil](/molmil-images/mine/5c2a) | PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine | Descriptor: | 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-09-30 | Last modified: | 2015-10-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5C28
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![BU of 5c28 by Molmil](/molmil-images/mine/5c28) | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine | Descriptor: | 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5C2E
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![BU of 5c2e by Molmil](/molmil-images/mine/5c2e) | PDE10 complexed with6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[2-(2-pyridyl)ethoxy]pyrimidin-4-amine | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-12-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5C1V
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![BU of 5c1v by Molmil](/molmil-images/mine/5c1v) | CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN | Descriptor: | FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ... | Authors: | Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M. | Deposit date: | 2015-06-15 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization. Plos One, 10, 2015
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5C29
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![BU of 5c29 by Molmil](/molmil-images/mine/5c29) | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine | Descriptor: | 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-09-30 | Last modified: | 2015-10-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5CFD
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7OFK
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![BU of 7ofk by Molmil](/molmil-images/mine/7ofk) | Ligand complex of RORg LBD | Descriptor: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2021-05-05 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
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7OFI
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![BU of 7ofi by Molmil](/molmil-images/mine/7ofi) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2021-05-05 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
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5CH8
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![BU of 5ch8 by Molmil](/molmil-images/mine/5ch8) | Crystal structure of MDLA N225Q mutant form Penicillium cyclopium | Descriptor: | CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ... | Authors: | Xu, J, Xu, H, Hou, S, Liu, J. | Deposit date: | 2015-07-10 | Release date: | 2016-04-20 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process ChemistrySelect, 4, 2016
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5CKW
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![BU of 5ckw by Molmil](/molmil-images/mine/5ckw) | Crystal structure of LegK4_AMPPNP Kinase | Descriptor: | CALCIUM ION, LegK4, MAGNESIUM ION, ... | Authors: | Flayhan, A, Terradot, L. | Deposit date: | 2015-07-15 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
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5C2H
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![BU of 5c2h by Molmil](/molmil-images/mine/5c2h) | PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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5CFC
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5CP6
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![BU of 5cp6 by Molmil](/molmil-images/mine/5cp6) | Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6] | Descriptor: | (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2015-07-21 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode. Angew.Chem.Int.Ed.Engl., 55, 2016
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5CLR
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![BU of 5clr by Molmil](/molmil-images/mine/5clr) | Crystal structure of LegK4_APO Kinase | Descriptor: | LegK4 | Authors: | Flayhan, A, Terradot, L. | Deposit date: | 2015-07-16 | Release date: | 2015-10-14 | Method: | X-RAY DIFFRACTION (3.706 Å) | Cite: | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
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5CEI
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![BU of 5cei by Molmil](/molmil-images/mine/5cei) | Crystal structure of CDK8:Cyclin C complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | Deposit date: | 2015-07-06 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
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1RG4
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5CW6
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![BU of 5cw6 by Molmil](/molmil-images/mine/5cw6) | Structure of metal dependent enzyme DrBRCC36 | Descriptor: | DrBRCC36, ZINC ION | Authors: | Zeqiraj, E. | Deposit date: | 2015-07-27 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.193 Å) | Cite: | Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol.Cell, 59, 2015
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5CVW
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![BU of 5cvw by Molmil](/molmil-images/mine/5cvw) | CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS | Descriptor: | 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... | Authors: | Motlova, L, Barinka, C, Bumba, L. | Deposit date: | 2015-07-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts. Mol.Cell, 62, 2016
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5D28
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1RG3
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![BU of 1rg3 by Molmil](/molmil-images/mine/1rg3) | |
5CY3
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![BU of 5cy3 by Molmil](/molmil-images/mine/5cy3) | |
5AJA
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![BU of 5aja by Molmil](/molmil-images/mine/5aja) | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) | Descriptor: | PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... | Authors: | Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | Deposit date: | 2015-02-20 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx. Cell Host Microbe., 17, 2015
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