3DAY
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![BU of 3day by Molmil](/molmil-images/mine/3day) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ... | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
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3GPC
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![BU of 3gpc by Molmil](/molmil-images/mine/3gpc) | Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA | Descriptor: | Acyl-coenzyme A synthetase ACSM2A, COENZYME A, MAGNESIUM ION | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-23 | Release date: | 2009-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A J.Mol.Biol., 388, 2009
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2VZE
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![BU of 2vze by Molmil](/molmil-images/mine/2vze) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP | Descriptor: | ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ... | Authors: | Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U. | Deposit date: | 2008-07-31 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A. J.Mol.Biol., 388, 2009
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2WD9
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![BU of 2wd9 by Molmil](/molmil-images/mine/2wd9) | CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN | Descriptor: | ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ... | Authors: | Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2009-03-21 | Release date: | 2009-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A. J.Mol.Biol., 388, 2009
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4LSG
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![BU of 4lsg by Molmil](/molmil-images/mine/4lsg) | |
1GFW
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![BU of 1gfw by Molmil](/molmil-images/mine/1gfw) | |
5V82
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![BU of 5v82 by Molmil](/molmil-images/mine/5v82) | PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine) | Descriptor: | 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H. | Deposit date: | 2017-03-21 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability. J. Med. Chem., 60, 2017
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5V80
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![BU of 5v80 by Molmil](/molmil-images/mine/5v80) | |
4AI8
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![BU of 4ai8 by Molmil](/molmil-images/mine/4ai8) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | Descriptor: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | Authors: | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J. Med. Chem., 55, 2012
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4AI9
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![BU of 4ai9 by Molmil](/molmil-images/mine/4ai9) | JMJD2A Complexed with Daminozide | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | Authors: | Chowdhury, R, Schofield, C.J. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J. Med. Chem., 55, 2012
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1I2Z
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![BU of 1i2z by Molmil](/molmil-images/mine/1i2z) | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI). Bioorg.Med.Chem.Lett., 11, 2001
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4K18
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![BU of 4k18 by Molmil](/molmil-images/mine/4k18) | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
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4K0Y
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![BU of 4k0y by Molmil](/molmil-images/mine/4k0y) | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
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4K1B
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![BU of 4k1b by Molmil](/molmil-images/mine/4k1b) | Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.082 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
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8GD7
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![BU of 8gd7 by Molmil](/molmil-images/mine/8gd7) | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | Authors: | Fried, W.A, Chen, X.S, Li, S.X. | Deposit date: | 2023-03-03 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors. Nat Commun, 15, 2024
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2C2N
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![BU of 2c2n by Molmil](/molmil-images/mine/2c2n) | Structure of human mitochondrial malonyltransferase | Descriptor: | 1,2-DIMETHOXYETHANE, 2-(2-ETHOXYETHOXY)ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ... | Authors: | Wu, X, Bunkoczi, G, Smee, C, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U. | Deposit date: | 2005-09-29 | Release date: | 2006-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Different Specificities of Acyltransferases Associated with the Human Cytosolic and Mitochondrial Fatty Acid Synthases. Chem.Biol., 16, 2009
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7YXV
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![BU of 7yxv by Molmil](/molmil-images/mine/7yxv) | |
6PFJ
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![BU of 6pfj by Molmil](/molmil-images/mine/6pfj) | Structure of S. venezuelae RsiG-WhiG-(ci-di-GMP) complex, P64 crystal form | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor | Authors: | Schumacher, M.A. | Deposit date: | 2019-06-21 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces. Mol.Cell, 77, 2020
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6PFV
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![BU of 6pfv by Molmil](/molmil-images/mine/6pfv) | Structure of S. venezuelae RisG-WhiG-c-di-GMP complex: orthorhombic crystal form | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor | Authors: | Schumacher, M.A. | Deposit date: | 2019-06-22 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces. Mol.Cell, 77, 2020
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5APA
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![BU of 5apa by Molmil](/molmil-images/mine/5apa) | Crystal structure of human aspartate beta-hydroxylase isoform a | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ... | Authors: | Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | Deposit date: | 2015-09-15 | Release date: | 2015-09-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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8OOJ
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![BU of 8ooj by Molmil](/molmil-images/mine/8ooj) | Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP | Descriptor: | 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Saez-Ayala, M, Rebuffet, E, Betzi, S, Morelli, X. | Deposit date: | 2023-04-05 | Release date: | 2023-12-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 4'-Ethynyl-2'-Deoxycytidine (EdC) Preferentially Targets Lymphoma and Leukemia Subtypes by Inducing Replicative Stress. Mol.Cancer Ther., 23, 2024
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5JHW
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![BU of 5jhw by Molmil](/molmil-images/mine/5jhw) | |
5JI1
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![BU of 5ji1 by Molmil](/molmil-images/mine/5ji1) | Crystal Structure of GDF8 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Growth/differentiation factor 8 | Authors: | Walker, R.G, Thompson, T.B. | Deposit date: | 2016-04-21 | Release date: | 2017-03-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for potency differences between GDF8 and GDF11. BMC Biol., 15, 2017
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2ESE
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![BU of 2ese by Molmil](/molmil-images/mine/2ese) | Structure of the SAM domain of Vts1p in complex with RNA | Descriptor: | 5'-R(*GP*GP*AP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*UP*CP*C)-3', Vts1p | Authors: | Allain, F.H.T. | Deposit date: | 2005-10-26 | Release date: | 2006-01-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Shape-specific recognition in the structure of the Vts1p SAM domain with RNA. Nat.Struct.Mol.Biol., 13, 2006
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2ES5
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![BU of 2es5 by Molmil](/molmil-images/mine/2es5) | Structure of the SRE RNA | Descriptor: | 5'-R(*GP*GP*AP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*UP*CP*C)-3' | Authors: | Allain, F.H.T. | Deposit date: | 2005-10-25 | Release date: | 2006-01-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Shape-specific recognition in the structure of the Vts1p SAM domain with RNA. Nat.Struct.Mol.Biol., 13, 2006
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