2X0D
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![BU of 2x0d by Molmil](/molmil-images/mine/2x0d) | APO structure of WsaF | Descriptor: | GLYCEROL, WSAF | Authors: | Steiner, K, Hagelueken, G, Naismith, J.H. | Deposit date: | 2009-12-08 | Release date: | 2010-02-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis of Substrate Binding in Wsaf, a Rhamnosyltransferase from Geobacillus Stearothermophilus. J.Mol.Biol., 397, 2010
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3DKG
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![BU of 3dkg by Molmil](/molmil-images/mine/3dkg) | Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523 | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Hendle, J. | Deposit date: | 2008-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther., 8, 2009
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3JQC
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![BU of 3jqc by Molmil](/molmil-images/mine/3jqc) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (JU2) | Descriptor: | 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3FNF
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![BU of 3fnf by Molmil](/molmil-images/mine/3fnf) | Crystal structure of InhA bound to triclosan derivative | Descriptor: | 5-benzyl-2-(2,4-dichlorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wang, F. | Deposit date: | 2008-12-24 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem, 4, 2009
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3JQ9
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![BU of 3jq9 by Molmil](/molmil-images/mine/3jq9) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (AX1) | Descriptor: | 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3JQG
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2XAB
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![BU of 2xab by Molmil](/molmil-images/mine/2xab) | Structure of HSP90 with an inhibitor bound | Descriptor: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-03-30 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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3FVS
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![BU of 3fvs by Molmil](/molmil-images/mine/3fvs) | Human Kynurenine Aminotransferase I in complex with Glycerol | Descriptor: | GLYCEROL, Kynurenine--oxoglutarate transaminase 1, SODIUM ION | Authors: | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | Deposit date: | 2009-01-16 | Release date: | 2009-05-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K J.Med.Chem., 52, 2009
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3JQ8
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![BU of 3jq8 by Molmil](/molmil-images/mine/3jq8) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine (DX3) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3K7O
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3K7S
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2XEP
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![BU of 2xep by Molmil](/molmil-images/mine/2xep) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | CHLORIDE ION, GLYCEROL, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-05-17 | Release date: | 2011-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XH9
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![BU of 2xh9 by Molmil](/molmil-images/mine/2xh9) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-06-09 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XGN
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![BU of 2xgn by Molmil](/molmil-images/mine/2xgn) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | GLYCEROL, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-06-07 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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3FQL
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![BU of 3fql by Molmil](/molmil-images/mine/3fql) | Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor | Descriptor: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-directed RNA polymerase | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2009-01-07 | Release date: | 2009-02-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. J.Biol.Chem., 284, 2009
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2XJJ
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![BU of 2xjj by Molmil](/molmil-images/mine/2xjj) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2VG3
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![BU of 2vg3 by Molmil](/molmil-images/mine/2vg3) | Rv2361 with citronellyl pyrophosphate | Descriptor: | CHLORIDE ION, GERANYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-08 | Release date: | 2008-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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2V9B
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![BU of 2v9b by Molmil](/molmil-images/mine/2v9b) | X-ray structure of viscotoxin B2 from Viscum album | Descriptor: | SULFATE ION, VISCOTOXIN-B | Authors: | Debreczeni, J.E, Pal, A, Kahle, B, Zeeck, A, Sheldrick, G.M. | Deposit date: | 2007-08-23 | Release date: | 2008-06-17 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone. Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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3FQK
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![BU of 3fqk by Molmil](/molmil-images/mine/3fqk) | Hepatitis C virus polymerase NS5B (BK 1-570) with HCV-796 inhibitor | Descriptor: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2009-01-07 | Release date: | 2009-02-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. J.Biol.Chem., 284, 2009
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3G4E
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![BU of 3g4e by Molmil](/molmil-images/mine/3g4e) | |
3JQB
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![BU of 3jqb by Molmil](/molmil-images/mine/3jqb) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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2W9L
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![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | Descriptor: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
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3K8C
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![BU of 3k8c by Molmil](/molmil-images/mine/3k8c) | |
3G4H
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2WBW
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![BU of 2wbw by Molmil](/molmil-images/mine/2wbw) | Ad37 fibre head in complex with CAR D1 and sialic acid | Descriptor: | CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-03-05 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution. Plos Pathog., 5, 2009
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