6VLE
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![BU of 6vle by Molmil](/molmil-images/mine/6vle) | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | Descriptor: | Alpha-(1,6)-fucosyltransferase, SULFATE ION | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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5TZO
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![BU of 5tzo by Molmil](/molmil-images/mine/5tzo) | Computationally Designed Fentanyl Binder - Fen49*-Complex | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ... | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | Deposit date: | 2016-11-22 | Release date: | 2017-10-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
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5TVY
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![BU of 5tvy by Molmil](/molmil-images/mine/5tvy) | Computationally Designed Fentanyl Binder - Fen49 | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | Deposit date: | 2016-11-10 | Release date: | 2017-10-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
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2Y8T
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![BU of 2y8t by Molmil](/molmil-images/mine/2y8t) | Co-structure of AMA1 with a surface exposed region of RON2 from Toxoplasma gondii | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE, ... | Authors: | Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J. | Deposit date: | 2011-02-10 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide Science, 333, 2011
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2Y8S
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![BU of 2y8s by Molmil](/molmil-images/mine/2y8s) | Co-structure of an AMA1 mutant (Y230A) with a surface exposed region of RON2 from Toxoplasma gondii | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE, ... | Authors: | Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J. | Deposit date: | 2011-02-10 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide Science, 333, 2011
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2DCG
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![BU of 2dcg by Molmil](/molmil-images/mine/2dcg) | MOLECULAR STRUCTURE OF A LEFT-HANDED DOUBLE HELICAL DNA FRAGMENT AT ATOMIC RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Wang, A.H.-J, Quigley, G.J, Kolpak, F.J, Crawford, J.L, Van Boom, J.H, Van Der Marel, G.A, Rich, A. | Deposit date: | 1988-08-29 | Release date: | 1989-01-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Molecular structure of a left-handed double helical DNA fragment at atomic resolution. Nature, 282, 1979
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4HE8
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![BU of 4he8 by Molmil](/molmil-images/mine/4he8) | Crystal structure of the membrane domain of respiratory complex I from Thermus thermophilus | Descriptor: | NADH-quinone oxidoreductase subunit 10, NADH-quinone oxidoreductase subunit 11, NADH-quinone oxidoreductase subunit 12, ... | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2012-10-03 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the entire respiratory complex I. Nature, 494, 2013
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3IAM
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![BU of 3iam by Molmil](/molmil-images/mine/3iam) | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, reduced, 2 mol/ASU, with bound NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Sazanov, L.A, Berrisford, J.M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the mechanism of respiratory complex I J.Biol.Chem., 284, 2009
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3MAV
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![BU of 3mav by Molmil](/molmil-images/mine/3mav) | Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040) | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION | Authors: | Dong, A, Dunford, J, Lew, J, Wernimont, A.K, Ren, H, Zhao, Y, Koeieradzki, I, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-24 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites. J.Biol.Chem., 286, 2011
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3ZXN
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![BU of 3zxn by Molmil](/molmil-images/mine/3zxn) | Moorella thermoacetica RsbS S58E | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, THIOCYANATE ION | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2011-08-12 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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3ZTB
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![BU of 3ztb by Molmil](/molmil-images/mine/3ztb) | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, IODIDE ION | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2011-07-06 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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1Y6A
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![BU of 1y6a by Molmil](/molmil-images/mine/1y6a) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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2Q58
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![BU of 2q58 by Molmil](/molmil-images/mine/2q58) | Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | Authors: | Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-31 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis Chem.Biol., 15, 2008
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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3ZTA
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![BU of 3zta by Molmil](/molmil-images/mine/3zta) | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2011-07-06 | Release date: | 2012-02-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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1Y6B
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![BU of 1y6b by Molmil](/molmil-images/mine/1y6b) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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3ZT9
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![BU of 3zt9 by Molmil](/molmil-images/mine/3zt9) | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, SERINE PHOSPHATASE | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2011-07-06 | Release date: | 2012-02-22 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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3PH7
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![BU of 3ph7 by Molmil](/molmil-images/mine/3ph7) | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | Farnesyl pyrophosphate synthase, GERANYLGERANYL DIPHOSPHATE | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites. J.Biol.Chem., 286, 2011
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2MPM
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![BU of 2mpm by Molmil](/molmil-images/mine/2mpm) | Structural Basis of Receptor Sulfotyrosine Recognition by a CC Chemokine: the N-terminal Region of CCR3 Bound to CCL11/Eotaxin-1 | Descriptor: | CCR3, Eotaxin | Authors: | Millard, C.J, Ludeman, J.P, Canals, M, Bridgford, J.L, Hinds, M.G, Clayton, D.J, Christopoulos, A, Payne, R.J, Stone, M.J. | Deposit date: | 2014-05-26 | Release date: | 2014-12-10 | Method: | SOLUTION NMR | Cite: | Structural Basis of Receptor Sulfotyrosine Recognition by a CC Chemokine: The N-Terminal Region of CCR3 Bound to CCL11/Eotaxin-1. Structure, 22, 2014
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4HEA
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![BU of 4hea by Molmil](/molmil-images/mine/4hea) | Crystal structure of the entire respiratory complex I from Thermus thermophilus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2012-10-03 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3027 Å) | Cite: | Crystal structure of the entire respiratory complex I. Nature, 494, 2013
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2ATC
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![BU of 2atc by Molmil](/molmil-images/mine/2atc) | CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, REGULATORY CHAIN, ... | Authors: | Honzatko, R.B, Crawford, J.L, Monaco, H.L, Ladner, J.E, Edwards, B.F.P, Evans, D.R, Warren, S.G, Wiley, D.C, Ladner, R.C, Lipscomb, W.N. | Deposit date: | 1982-03-24 | Release date: | 1982-12-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli. J.Mol.Biol., 160, 1982
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2O1O
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![BU of 2o1o by Molmil](/molmil-images/mine/2o1o) | Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with risedronate. | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, Putative farnesyl pyrophosphate synthase | Authors: | Chruszcz, M, Artz, J.D, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Oppermann, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-29 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis Chem.Biol., 15, 2008
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3G0G
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![BU of 3g0g by Molmil](/molmil-images/mine/3g0g) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3G0D
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![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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