1H66
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![BU of 1h66 by Molmil](/molmil-images/mine/1h66) | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-06 | Release date: | 2001-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 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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3AV6
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![BU of 3av6 by Molmil](/molmil-images/mine/3av6) | Crystal structure of mouse DNA methyltransferase 1 with AdoMet | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S. | Deposit date: | 2011-02-22 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1). Proc.Natl.Acad.Sci.USA, 108, 2011
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1GDF
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![BU of 1gdf by Molmil](/molmil-images/mine/1gdf) | |
3OP5
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![BU of 3op5 by Molmil](/molmil-images/mine/3op5) | Human vaccinia-related kinase 1 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | 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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1G5N
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![BU of 1g5n by Molmil](/molmil-images/mine/1g5n) | ANNEXIN V COMPLEX WITH HEPARIN OLIGOSACCHARIDES | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ANNEXIN V, CALCIUM ION | Authors: | Capila, I, Heraiz, M.J, Mo, Y.D, Mealy, T.R, Campos, B, Dedman, J.R, Linhardt, R.J, Seaton, B.A. | Deposit date: | 2000-11-01 | Release date: | 2001-06-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Annexin V--heparin oligosaccharide complex suggests heparan sulfate--mediated assembly on cell surfaces. Structure, 9, 2001
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5V67
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![BU of 5v67 by Molmil](/molmil-images/mine/5v67) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-16 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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1ZXN
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![BU of 1zxn by Molmil](/molmil-images/mine/1zxn) | Human DNA topoisomerase IIa ATPase/ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase II, alpha isozyme, ... | Authors: | Wei, H, Ruthenburg, A.J, Bechis, S.K, Verdine, G.L. | Deposit date: | 2005-06-08 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Nucleotide-dependent Domain Movement in the ATPase Domain of a Human Type IIA DNA Topoisomerase. J.Biol.Chem., 280, 2005
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5UWT
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![BU of 5uwt by Molmil](/molmil-images/mine/5uwt) | |
3L82
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![BU of 3l82 by Molmil](/molmil-images/mine/3l82) | X-ray Crystal structure of TRF1 and Fbx4 complex | Descriptor: | F-box only protein 4, Telomeric repeat-binding factor 1 | Authors: | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | Deposit date: | 2009-12-29 | Release date: | 2010-03-09 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4) Dev.Cell, 18, 2010
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5VBP
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![BU of 5vbp by Molmil](/molmil-images/mine/5vbp) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280 | Descriptor: | 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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3ABU
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![BU of 3abu by Molmil](/molmil-images/mine/3abu) | Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201 | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-12-21 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1 Biochemistry, 49, 2010
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5V9T
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![BU of 5v9t by Molmil](/molmil-images/mine/5v9t) | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) 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 (3.05 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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3AC9
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![BU of 3ac9 by Molmil](/molmil-images/mine/3ac9) | |
5UVW
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![BU of 5uvw by Molmil](/molmil-images/mine/5uvw) | BRD4_Bromodomain1-A1376855 | Descriptor: | Bromodomain-containing protein 4, N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide, SULFATE ION | Authors: | Park, C.H. | Deposit date: | 2017-02-20 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | BRD4_Bromodomain1-A1376855 To Be Published
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5UWS
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3LGE
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![BU of 3lge by Molmil](/molmil-images/mine/3lge) | Crystal structure of rabbit muscle aldolase-SNX9 LC4 complex | Descriptor: | Fructose-bisphosphate aldolase A, Sorting nexin-9 | Authors: | Rangarajan, E.S, Park, H, Fortin, E, Sygusch, J, Izard, T. | Deposit date: | 2010-01-20 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of aldolase control of sorting nexin 9 function in endocytosis. J.Biol.Chem., 285, 2010
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3ABT
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![BU of 3abt by Molmil](/molmil-images/mine/3abt) | Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | Authors: | Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-12-21 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1 Biochemistry, 49, 2010
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5VDC
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![BU of 5vdc by Molmil](/molmil-images/mine/5vdc) | Crystal structure of the human DPF2 tandem PHD finger domain | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, ZINC ION, ... | Authors: | Huber, F.M, Davenport, A.M, Hoelz, A. | Deposit date: | 2017-04-01 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Histone-binding of DPF2 mediates its repressive role in myeloid differentiation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VNA
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![BU of 5vna by Molmil](/molmil-images/mine/5vna) | Crystal structure of human YEATS domain | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2017-04-29 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode. ACS Chem. Biol., 13, 2018
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3LDL
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![BU of 3ldl by Molmil](/molmil-images/mine/3ldl) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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1VBS
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![BU of 1vbs by Molmil](/molmil-images/mine/1vbs) | STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE | Descriptor: | CYCLOPHILIN A, TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases. FEBS Lett., 432, 1998
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1VBT
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![BU of 1vbt by Molmil](/molmil-images/mine/1vbt) | Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight Into Conversion of Substrate to Inhibitor To be Published
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3CH5
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![BU of 3ch5 by Molmil](/molmil-images/mine/3ch5) | The crystal structure of the RanGDP-Nup153ZnF2 complex | Descriptor: | Fragment of Nuclear pore complex protein Nup153, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vetter, I.R, Schrader, N. | Deposit date: | 2008-03-07 | Release date: | 2008-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex Structure, 16, 2008
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2AD9
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![BU of 2ad9 by Molmil](/molmil-images/mine/2ad9) | Solution structure of Polypyrimidine Tract Binding protein RBD1 complexed with CUCUCU RNA | Descriptor: | 5'-R(*CP*UP*CP*UP*CP*U)-3', Polypyrimidine tract-binding protein 1 | Authors: | Oberstrass, F.C, Auweter, S.D, Erat, M, Hargous, Y, Henning, A, Wenter, P, Reymond, L, Pitsch, S, Black, D.L, Allain, F.H.T. | Deposit date: | 2005-07-20 | Release date: | 2005-10-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of PTB bound to RNA: specific binding and implications for splicing regulation Science, 309, 2005
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3D7C
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![BU of 3d7c by Molmil](/molmil-images/mine/3d7c) | Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2 | Descriptor: | General control of amino acid synthesis protein 5-like 2 | Authors: | Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-21 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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