3NQJ
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![BU of 3nqj by Molmil](/molmil-images/mine/3nqj) | Crystal structure of (CENP-A/H4)2 heterotetramer | Descriptor: | Histone H3-like centromeric protein A, Histone H4, PHOSPHATE ION | Authors: | Sekulic, N, Black, B.E. | Deposit date: | 2010-06-29 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of (CENP-A-H4)(2) reveals physical features that mark centromeres. Nature, 467, 2010
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5UWW
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![BU of 5uww by Molmil](/molmil-images/mine/5uww) | |
5V9P
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![BU of 5v9p by Molmil](/molmil-images/mine/5v9p) | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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2ZKF
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![BU of 2zkf by Molmil](/molmil-images/mine/2zkf) | Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA | Descriptor: | DNA (5'-D(*DCP*DTP*DAP*DTP*DCP*(5CM)P*DGP*DGP*DTP*DGP*DA)-3'), DNA (5'-D(P*DCP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DAP*DGP*DA)-3'), E3 ubiquitin-protein ligase UHRF1 | Authors: | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | Deposit date: | 2008-03-19 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism Nature, 455, 2008
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2ZO0
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![BU of 2zo0 by Molmil](/molmil-images/mine/2zo0) | mouse NP95 SRA domain DNA specific complex 1 | Descriptor: | DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1 | Authors: | Hashimoto, H, Horton, J.R, Cheng, X. | Deposit date: | 2008-05-05 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix Nature, 455, 2008
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1ZR3
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![BU of 1zr3 by Molmil](/molmil-images/mine/1zr3) | Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form B) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, histone macroH2A1.1 | Authors: | Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G. | Deposit date: | 2005-05-19 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Splicing regulates NAD metabolite binding to histone macroH2A. Nat.Struct.Mol.Biol., 12, 2005
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1UPV
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![BU of 1upv by Molmil](/molmil-images/mine/1upv) | Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | Authors: | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | Deposit date: | 2003-10-13 | Release date: | 2004-10-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
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1H69
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![BU of 1h69 by Molmil](/molmil-images/mine/1h69) | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION | Descriptor: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-08 | Release date: | 2001-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
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1HD0
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![BU of 1hd0 by Molmil](/molmil-images/mine/1hd0) | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN D0 (HNRNP D0 RBD1), NMR | Descriptor: | PROTEIN (HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN D0) | Authors: | Nagata, T, Kurihara, Y, Matsuda, G, Saeki, J, Kohno, T, Yanagida, Y, Ishikawa, F, Uesugi, S, Katahira, M. | Deposit date: | 1999-05-18 | Release date: | 2000-05-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure and interactions with RNA of the N-terminal UUAG-specific RNA-binding domain of hnRNP D0. J.Mol.Biol., 287, 1999
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2ZVL
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![BU of 2zvl by Molmil](/molmil-images/mine/2zvl) | Crystal structure of PCNA in complex with DNA polymerase kappa fragment | Descriptor: | DNA polymerase kappa, Proliferating cell nuclear antigen, SULFATE ION, ... | Authors: | Hishiki, A, Hashimoto, H, Hanafusa, T, Kamei, K, Ohashi, E, Shimizu, T, Ohmori, H, Sato, M. | Deposit date: | 2008-11-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Novel Interactions between Human Translesion Synthesis Polymerases and Proliferating Cell Nuclear Antigen J.Biol.Chem., 284, 2009
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1ZR5
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![BU of 1zr5 by Molmil](/molmil-images/mine/1zr5) | Crystal structure of the macro-domain of human core histone variant macroH2A1.2 | Descriptor: | H2AFY protein | Authors: | Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G. | Deposit date: | 2005-05-19 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Splicing regulates NAD metabolite binding to histone macroH2A. Nat.Struct.Mol.Biol., 12, 2005
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3P53
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![BU of 3p53 by Molmil](/molmil-images/mine/3p53) | Structure of fascin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DODECAETHYLENE GLYCOL, Fascin, ... | Authors: | Jansen, S, Dominguez, R. | Deposit date: | 2010-10-07 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of actin filament bundling by fascin. J.Biol.Chem., 286, 2011
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1HG5
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![BU of 1hg5 by Molmil](/molmil-images/mine/1hg5) | CALM-N N-terminal domain of clathrin assembly lymphoid myeloid leukaemia protein, inositol(1,2,3,4,5,6)P6 complex | Descriptor: | CLATHRIN ASSEMBLY PROTEIN SHORT FORM, INOSITOL HEXAKISPHOSPHATE | Authors: | Ford, M.G.J, Evans, P.R, McMahon, H.T. | Deposit date: | 2000-12-12 | Release date: | 2001-02-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Simultaneous Binding of Ptdins(4,5)P2 and Clathrin by Ap180 in the Nucleation of Clathrin Lattices on Membranes Science, 291, 2001
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5UKF
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![BU of 5ukf by Molmil](/molmil-images/mine/5ukf) | Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor | Descriptor: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-22 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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1GG5
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![BU of 1gg5 by Molmil](/molmil-images/mine/1gg5) | CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION | Descriptor: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. | Deposit date: | 2000-07-12 | Release date: | 2001-09-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones. Structure, 9, 2001
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5VBO
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![BU of 5vbo by Molmil](/molmil-images/mine/5vbo) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH LRRK2-IN-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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5UMR
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![BU of 5umr by Molmil](/molmil-images/mine/5umr) | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 | Descriptor: | FACT complex subunit SSRP1 | Authors: | Su, D, Hu, Q, Thompson, J.R, Heroux, A, Botuyan, M.V, Mer, G. | Deposit date: | 2017-01-29 | Release date: | 2018-01-31 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 To Be Published
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3BQO
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![BU of 3bqo by Molmil](/molmil-images/mine/3bqo) | Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex | Descriptor: | TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1 | Authors: | Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M. | Deposit date: | 2007-12-20 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins. Science, 319, 2008
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3ODL
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![BU of 3odl by Molmil](/molmil-images/mine/3odl) | Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247 | Descriptor: | Cyclophilin A, Voclosporin | Authors: | Kuglstatter, A, Stihle, M, Benz, J, Hennig, M. | Deposit date: | 2010-08-11 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin). Acta Crystallogr.,Sect.D, 67, 2011
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3O8V
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![BU of 3o8v by Molmil](/molmil-images/mine/3o8v) | Crystal Structure of the Tudor Domains from FXR1 | Descriptor: | Fragile X mental retardation syndrome-related protein 1 | Authors: | Lam, R, Guo, Y.H, Adams-Cioaba, M, Bian, C.B, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-03 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2. Plos One, 5, 2010
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5UVF
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![BU of 5uvf by Molmil](/molmil-images/mine/5uvf) | Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-20 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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5UWJ
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![BU of 5uwj by Molmil](/molmil-images/mine/5uwj) | |
5UNA
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![BU of 5una by Molmil](/molmil-images/mine/5una) | Fragment of 7SK snRNA methylphosphate capping enzyme | Descriptor: | 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment | Authors: | Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-30 | Release date: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment of 7SK snRNA methylphosphate capping enzyme To Be Published
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5TI4
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![BU of 5ti4 by Molmil](/molmil-images/mine/5ti4) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871 | Descriptor: | 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E. | Deposit date: | 2016-09-30 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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5TLE
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![BU of 5tle by Molmil](/molmil-images/mine/5tle) | |