4C68
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![BU of 4c68 by Molmil](/molmil-images/mine/4c68) | Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | Deposit date: | 2013-09-17 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem., 12, 2014
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2IYA
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![BU of 2iya by Molmil](/molmil-images/mine/2iya) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-13 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2IYF
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![BU of 2iyf by Molmil](/molmil-images/mine/2iyf) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ... | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-17 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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1UZ9
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![BU of 1uz9 by Molmil](/molmil-images/mine/1uz9) | Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins. | Descriptor: | (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID, CHLORIDE ION, INSULIN, ... | Authors: | Whittingham, J.L, Jonassen, I, Havelund, S, Roberts, S.M, Dodson, E.J, Verma, C.S, Wilkinson, A.J, Dodson, G.G. | Deposit date: | 2004-03-08 | Release date: | 2005-03-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic and Solution Studies of N-Lithocholyl Insulin: A New Generation of Prolonged-Acting Human Insulins Biochemistry, 43, 2004
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3T60
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![BU of 3t60 by Molmil](/molmil-images/mine/3t60) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T64
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![BU of 3t64 by Molmil](/molmil-images/mine/3t64) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T6Y
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![BU of 3t6y by Molmil](/molmil-images/mine/3t6y) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T70
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![BU of 3t70 by Molmil](/molmil-images/mine/3t70) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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2WYN
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![BU of 2wyn by Molmil](/molmil-images/mine/2wyn) | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem.Commun.(Camb.), 46, 2010
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2WHJ
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![BU of 2whj by Molmil](/molmil-images/mine/2whj) | Understanding how diverse mannanases recognise heterogeneous substrates | Descriptor: | ACETATE ION, BETA-MANNANASE, GLYCEROL, ... | Authors: | Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J. | Deposit date: | 2009-05-05 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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2XFE
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![BU of 2xfe by Molmil](/molmil-images/mine/2xfe) | vCBM60 in complex with galactobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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2XHJ
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![BU of 2xhj by Molmil](/molmil-images/mine/2xhj) | Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules. SeMet form of vCBM60. | Descriptor: | CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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2XHH
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![BU of 2xhh by Molmil](/molmil-images/mine/2xhh) | Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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2XFD
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![BU of 2xfd by Molmil](/molmil-images/mine/2xfd) | vCBM60 in complex with cellobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, GLYCEROL, ... | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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2WHL
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![BU of 2whl by Molmil](/molmil-images/mine/2whl) | Understanding how diverse mannanases recognise heterogeneous substrates | Descriptor: | ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | Authors: | Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J. | Deposit date: | 2009-05-05 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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2YIH
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![BU of 2yih by Molmil](/molmil-images/mine/2yih) | Structure of a Paenibacillus polymyxa Xyloglucanase from GH family 44 with Xyloglucan | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CEL44C, ... | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | Deposit date: | 2011-05-13 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44. J.Biol.Chem., 286, 2011
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4ARU
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![BU of 4aru by Molmil](/molmil-images/mine/4aru) | Hafnia Alvei phytase in complex with tartrate | Descriptor: | CHLORIDE ION, HISTIDINE ACID PHOSPHATASE, L(+)-TARTARIC ACID, ... | Authors: | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | Deposit date: | 2012-04-26 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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4ARS
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![BU of 4ars by Molmil](/molmil-images/mine/4ars) | Hafnia Alvei phytase apo form | Descriptor: | ACETATE ION, GLYCEROL, HISTIDINE ACID PHOSPHATASE | Authors: | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | Deposit date: | 2012-04-26 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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4ARV
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![BU of 4arv by Molmil](/molmil-images/mine/4arv) | Yersinia kristensenii phytase apo form | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | Authors: | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | Deposit date: | 2012-04-26 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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4ARO
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![BU of 4aro by Molmil](/molmil-images/mine/4aro) | Hafnia Alvei phytase in complex with myo-inositol hexakis sulphate | Descriptor: | D-MYO-INOSITOL-HEXASULPHATE, DI(HYDROXYETHYL)ETHER, HISTIDINE ACID PHOSPHATASE, ... | Authors: | Moroz, O.V, Blagova, E.B, Ariza, A, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | Deposit date: | 2012-04-25 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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1BBJ
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![BU of 1bbj by Molmil](/molmil-images/mine/1bbj) | |
6H75
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![BU of 6h75 by Molmil](/molmil-images/mine/6h75) | SiaP A11N in complex with Neu5Ac (RT) | Descriptor: | N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP | Authors: | Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Water Networks Can Determine the Affinity of Ligand Binding to Proteins. J.Am.Chem.Soc., 141, 2019
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6H76
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![BU of 6h76 by Molmil](/molmil-images/mine/6h76) | SiaP in complex with Neu5Ac (RT) | Descriptor: | CESIUM ION, CHLORIDE ION, N-acetyl-beta-neuraminic acid, ... | Authors: | Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Water Networks Can Determine the Affinity of Ligand Binding to Proteins. J.Am.Chem.Soc., 141, 2019
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6QDB
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![BU of 6qdb by Molmil](/molmil-images/mine/6qdb) | |
6QDA
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![BU of 6qda by Molmil](/molmil-images/mine/6qda) | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811 | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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