5WCG
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![BU of 5wcg by Molmil](/molmil-images/mine/5wcg) | SET and MYND Domain Containing protein 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of SMYD2 in complex with compound MTF003 to be published
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2VYN
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![BU of 2vyn by Molmil](/molmil-images/mine/2vyn) | Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer | Descriptor: | FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Frayne, J, Taylor, A, Hall, L, Hadfield, A. | Deposit date: | 2008-07-25 | Release date: | 2008-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design. J.Biol.Chem., 284, 2009
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6CBX
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![BU of 6cbx by Molmil](/molmil-images/mine/6cbx) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ... | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 to be published
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4RSN
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![BU of 4rsn by Molmil](/molmil-images/mine/4rsn) | Crystal structure of the E267V mutant of cytochrome P450 BM3 | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L. | Deposit date: | 2014-11-09 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Expanding the drug metabolism function of P450BM3 To be Published
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5DKH
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![BU of 5dkh by Molmil](/molmil-images/mine/5dkh) | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 | Descriptor: | (2E)-3-[(6S,9R)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Probable global transcription activator SNF2L2, ... | Authors: | Tallant, C, Owen, D.R, Taylor, A, Fedorov, O, Savitsky, P, Siejka, P, Srikannathasan, V, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 To Be Published
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2VYV
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![BU of 2vyv by Molmil](/molmil-images/mine/2vyv) | Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer | Descriptor: | FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Frayne, J, Taylor, A, Hall, L, Hadfield, A. | Deposit date: | 2008-07-29 | Release date: | 2008-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design. J.Biol.Chem., 284, 2009
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1LAP
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![BU of 1lap by Molmil](/molmil-images/mine/1lap) | MOLECULAR STRUCTURE OF LEUCINE AMINOPEPTIDASE AT 2.7-ANGSTROMS RESOLUTION | Descriptor: | Cytosol aminopeptidase, ZINC ION | Authors: | Burley, S.K, David, P.R, Taylor, A, Lipscomb, W.N. | Deposit date: | 1990-08-01 | Release date: | 1991-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular structure of leucine aminopeptidase at 2.7-A resolution. Proc.Natl.Acad.Sci.USA, 87, 1990
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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1HBJ
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![BU of 1hbj by Molmil](/molmil-images/mine/1hbj) | X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | Descriptor: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | Deposit date: | 2001-04-16 | Release date: | 2001-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors J.Med.Chem., 44, 2001
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5KH5
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![BU of 5kh5 by Molmil](/molmil-images/mine/5kh5) | |
5KH4
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![BU of 5kh4 by Molmil](/molmil-images/mine/5kh4) | |
5KH2
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![BU of 5kh2 by Molmil](/molmil-images/mine/5kh2) | |
1K1K
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![BU of 1k1k by Molmil](/molmil-images/mine/1k1k) | Structure of Mutant Human Carbonmonoxyhemoglobin C (beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer. | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ... | Authors: | Dewan, J.C, Taylor-Feeling, A, Puius, Y.A, Patskovska, L, Patskovsky, Y, Nagel, R.L, Almo, S.C, Hirsch, R.E. | Deposit date: | 2001-09-25 | Release date: | 2002-12-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of mutant human carbonmonoxyhemoglobin C (betaE6K) at 2.0 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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7U9S
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![BU of 7u9s by Molmil](/molmil-images/mine/7u9s) | Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
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7U9U
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![BU of 7u9u by Molmil](/molmil-images/mine/7u9u) | Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
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4LR6
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![BU of 4lr6 by Molmil](/molmil-images/mine/4lr6) | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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2WKO
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![BU of 2wko by Molmil](/molmil-images/mine/2wko) | Structure of metal loaded Pathogenic SOD1 Mutant G93A. | Descriptor: | COPPER (II) ION, IODIDE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Antonyuk, S.V, Galaleldeen, A, Strange, R, Whitson, L, Narayana, N, Taylor, A, Schuermann, J.P, Holloway, S.P, Hasnain, S.S, Hart, P.J. | Deposit date: | 2009-06-16 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Biophysical Properties of Metal-Free Pathogenic Sod1 Mutants A4V and G93A. Arch.Biochem.Biophys., 492, 2009
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1BPN
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![BU of 1bpn by Molmil](/molmil-images/mine/1bpn) | |
1BPM
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![BU of 1bpm by Molmil](/molmil-images/mine/1bpm) | |
5DBM
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![BU of 5dbm by Molmil](/molmil-images/mine/5dbm) | Crystal structure of the CBP bromodomain in complex with CPI703 | Descriptor: | (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | Deposit date: | 2015-08-21 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition. J.Biol.Chem., 291, 2016
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1BLL
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![BU of 1bll by Molmil](/molmil-images/mine/1bll) | |
3CWB
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![BU of 3cwb by Molmil](/molmil-images/mine/3cwb) | Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | Authors: | Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. | Deposit date: | 2008-04-21 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D. Bioorg.Med.Chem., 16, 2008
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4YK0
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![BU of 4yk0 by Molmil](/molmil-images/mine/4yk0) | Crystal structure of the CBP bromodomain in complex with CPI098 | Descriptor: | (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Bellon, S.F, Jayaram, H. | Deposit date: | 2015-03-03 | Release date: | 2016-04-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition. J.Biol.Chem., 291, 2016
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1UTX
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![BU of 1utx by Molmil](/molmil-images/mine/1utx) | Regulation of Cytolysin Expression by Enterococcus faecalis: Role of CylR2 | Descriptor: | CYLR2, IODIDE ION, SODIUM ION | Authors: | Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M. | Deposit date: | 2003-12-12 | Release date: | 2004-09-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and DNA-Binding Properties of the Cytolysin Regulator CylR2 from Enterococcus Faecalis Embo J., 23, 2004
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