5LRQ
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![BU of 5lrq by Molmil](/molmil-images/mine/5lrq) | BRD4 in complex with ERK5 inhibitor XMD8-92 | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Martin, M.P, Noble, M.E.M. | Deposit date: | 2016-08-19 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
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3ZYM
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![BU of 3zym by Molmil](/molmil-images/mine/3zym) | Structure of CALM (PICALM) in complex with VAMP8 | Descriptor: | GLYCEROL, PHOSPHATE ION, PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN, ... | Authors: | Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J. | Deposit date: | 2011-08-23 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM. Cell, 147, 2011
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5LT3
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![BU of 5lt3 by Molmil](/molmil-images/mine/5lt3) | |
5LXM
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![BU of 5lxm by Molmil](/molmil-images/mine/5lxm) | |
4O1U
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![BU of 4o1u by Molmil](/molmil-images/mine/4o1u) | |
4DGB
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![BU of 4dgb by Molmil](/molmil-images/mine/4dgb) | TRIMCyp cyclophilin domain from Macaca mulatta: HIV-2 CA cyclophilin-binding loop complex | Descriptor: | TRIMCyp, capsid protein | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | Deposit date: | 2012-01-25 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
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5LSK
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![BU of 5lsk by Molmil](/molmil-images/mine/5lsk) | CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX | Descriptor: | Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ... | Authors: | Vetter, I.R, Petrovic, A, Keller, J, Liu, Y. | Deposit date: | 2016-09-02 | Release date: | 2016-11-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (3.502 Å) | Cite: | Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores. Cell, 167, 2016
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4AU7
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![BU of 4au7 by Molmil](/molmil-images/mine/4au7) | The structure of the Suv4-20h2 ternary complex with histone H4 | Descriptor: | 1,2-ETHANEDIOL, HISTONE H4 PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H2, ... | Authors: | Southall, S.M, Cronin, N.B, Wilson, J.R. | Deposit date: | 2012-05-14 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases. Nucleic Acids Res., 42, 2014
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4OGI
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![BU of 4ogi by Molmil](/molmil-images/mine/4ogi) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat.Chem.Biol., 10, 2014
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5LSJ
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![BU of 5lsj by Molmil](/molmil-images/mine/5lsj) | CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C delta-HEAD2 COMPLEX | Descriptor: | Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ... | Authors: | Vetter, I.R, Petrovic, A, Keller, J, Liu, Y. | Deposit date: | 2016-09-02 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores. Cell, 167, 2016
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5LGU
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![BU of 5lgu by Molmil](/molmil-images/mine/5lgu) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | Descriptor: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-08 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LT2
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5LHH
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![BU of 5lhh by Molmil](/molmil-images/mine/5lhh) | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-11 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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4E28
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![BU of 4e28 by Molmil](/molmil-images/mine/4e28) | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | Descriptor: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ... | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | Deposit date: | 2012-03-07 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase. J.Med.Chem., 55, 2012
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5LN3
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![BU of 5ln3 by Molmil](/molmil-images/mine/5ln3) | The human 26S Proteasome at 6.8 Ang. | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | Authors: | Schweitzer, A, Beck, F, Sakata, E, Unverdorben, P. | Deposit date: | 2016-08-03 | Release date: | 2017-03-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome. Mol. Cell Proteomics, 16, 2017
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5LS6
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![BU of 5ls6 by Molmil](/molmil-images/mine/5ls6) | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | Deposit date: | 2016-08-22 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas. J. Med. Chem., 59, 2016
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4O7B
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![BU of 4o7b by Molmil](/molmil-images/mine/4o7b) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-284847-BT | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4OJN
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![BU of 4ojn by Molmil](/molmil-images/mine/4ojn) | Crystal structure of human muscle L-lactate dehydrogenase | Descriptor: | GLYCEROL, L-lactate dehydrogenase A chain, PENTAETHYLENE GLYCOL | Authors: | Kolappan, S, Craig, L. | Deposit date: | 2014-01-21 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
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4DNK
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4OL0
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![BU of 4ol0 by Molmil](/molmil-images/mine/4ol0) | Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tsirkone, V.G, Strelkov, S.V. | Deposit date: | 2014-01-23 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran. Acta Crystallogr.,Sect.F, 70, 2014
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5NAF
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![BU of 5naf by Molmil](/molmil-images/mine/5naf) | Co-crystal structure of an MeCP2 peptide with TBLR1 WD40 domain | Descriptor: | F-box-like/WD repeat-containing protein TBL1XR1, GLYCEROL, Methyl-CpG-binding protein 2 | Authors: | Kruusvee, V, Cook, A.G. | Deposit date: | 2017-02-27 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structure of the MeCP2-TBLR1 complex reveals a molecular basis for Rett syndrome and related disorders. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N7D
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![BU of 5n7d by Molmil](/molmil-images/mine/5n7d) | MAGI-1 complexed with a RSK1 peptide | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2017-02-20 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
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4DEE
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![BU of 4dee by Molmil](/molmil-images/mine/4dee) | Aurora A in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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3ZKE
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![BU of 3zke by Molmil](/molmil-images/mine/3zke) | Structure of LC8 in complex with Nek9 peptide | Descriptor: | DYNEIN LIGHT CHAIN 1, CYTOPLASMIC, NEK9 PROTEIN | Authors: | Gallego, P, Velazquez-Campoy, A, Regue, L, Roig, J, Reverter, D. | Deposit date: | 2013-01-22 | Release date: | 2013-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation J.Biol.Chem., 288, 2013
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4C66
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![BU of 4c66 by Molmil](/molmil-images/mine/4c66) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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