4QL8
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![BU of 4ql8 by Molmil](/molmil-images/mine/4ql8) | Crystal structure of Androgen Receptor in complex with the ligand | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | Deposit date: | 2014-06-11 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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2R17
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![BU of 2r17 by Molmil](/molmil-images/mine/2r17) | Functional architecture of the retromer cargo-recognition complex | Descriptor: | GLYCEROL, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | Authors: | Hierro, A, Rojas, A.L, Rojas, R, Murthy, N, Effantin, G, Kajava, A.V, Steven, A.C, Bonifacino, J.S, Hurley, J.H. | Deposit date: | 2007-08-22 | Release date: | 2007-10-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Functional architecture of the retromer cargo-recognition complex. Nature, 449, 2007
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1U0G
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![BU of 1u0g by Molmil](/molmil-images/mine/1u0g) | Crystal structure of mouse phosphoglucose isomerase in complex with erythrose 4-phosphate | Descriptor: | BETA-MERCAPTOETHANOL, ERYTHOSE-4-PHOSPHATE, GLYCEROL, ... | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening. J.Mol.Biol., 342, 2004
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1U0F
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![BU of 1u0f by Molmil](/molmil-images/mine/1u0f) | Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, GLUCOSE-6-PHOSPHATE, ... | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening. J.Mol.Biol., 342, 2004
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1U0E
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![BU of 1u0e by Molmil](/molmil-images/mine/1u0e) | Crystal structure of mouse phosphoglucose isomerase | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Glucose-6-phosphate isomerase, ... | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening. J.Mol.Biol., 342, 2004
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7F80
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![BU of 7f80 by Molmil](/molmil-images/mine/7f80) | |
6AH9
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![BU of 6ah9 by Molmil](/molmil-images/mine/6ah9) | Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N. | Deposit date: | 2018-08-17 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan To Be Published
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5XMX
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![BU of 5xmx by Molmil](/molmil-images/mine/5xmx) | Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD | Descriptor: | (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N. | Deposit date: | 2017-05-16 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg. Med. Chem. Lett., 27, 2017
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5ZXI
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![BU of 5zxi by Molmil](/molmil-images/mine/5zxi) | Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD | Descriptor: | 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N. | Deposit date: | 2018-05-21 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD). ACS Med Chem Lett, 9, 2018
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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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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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6AHE
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![BU of 6ahe by Molmil](/molmil-images/mine/6ahe) | Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252 | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N. | Deposit date: | 2018-08-17 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies. Chem.Biol.Drug Des., 96, 2020
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