4BBY
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![BU of 4bby by Molmil](/molmil-images/mine/4bby) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4U0J
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![BU of 4u0j by Molmil](/molmil-images/mine/4u0j) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints | Descriptor: | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4U0K
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![BU of 4u0k by Molmil](/molmil-images/mine/4u0k) | Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide | Descriptor: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4TZT
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![BU of 4tzt by Molmil](/molmil-images/mine/4tzt) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4BCA
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![BU of 4bca by Molmil](/molmil-images/mine/4bca) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-10-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BC9
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![BU of 4bc9 by Molmil](/molmil-images/mine/4bc9) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE, ADDUCT WITH CYANOETHYL | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-10-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BC7
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![BU of 4bc7 by Molmil](/molmil-images/mine/4bc7) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Arg419His mutant | Descriptor: | 1-DODECANOL, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-10-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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3KEP
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![BU of 3kep by Molmil](/molmil-images/mine/3kep) | Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae | Descriptor: | 1,2-ETHANEDIOL, Nucleoporin NUP145 | Authors: | Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-10-26 | Release date: | 2009-12-22 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins, 78, 2010
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3KHD
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![BU of 3khd by Molmil](/molmil-images/mine/3khd) | Crystal Structure of PFF1300w. | Descriptor: | Pyruvate kinase | Authors: | Wernimont, A.K, Hutchinson, A, Hassanali, A, Mackenzie, F, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Bakszt, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-30 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of PFF1300w. To be Published
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6XYJ
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![BU of 6xyj by Molmil](/molmil-images/mine/6xyj) | |
7N87
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![BU of 7n87 by Molmil](/molmil-images/mine/7n87) | |
6Y8N
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![BU of 6y8n by Molmil](/molmil-images/mine/6y8n) | Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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7NUI
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6Z2Q
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![BU of 6z2q by Molmil](/molmil-images/mine/6z2q) | Crystal structure of wild type OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (GalGalNAc-TS) product | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Glycodrosocin, ... | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-18 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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1G61
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![BU of 1g61 by Molmil](/molmil-images/mine/1g61) | CRYSTAL STRUCTURE OF M.JANNASCHII EIF6 | Descriptor: | TRANSLATION INITIATION FACTOR 6 | Authors: | Groft, C.M, Beckmann, R, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2000-11-02 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of ribosome anti-association factor IF6. Nat.Struct.Biol., 7, 2000
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6Z2D
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![BU of 6z2d by Molmil](/molmil-images/mine/6z2d) | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 41 21 2 | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, O-glycan protease, ... | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-15 | Release date: | 2020-09-30 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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6Z2O
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![BU of 6z2o by Molmil](/molmil-images/mine/6z2o) | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 21 21 21 | Descriptor: | 1,2-ETHANEDIOL, O-glycan protease, ZINC ION | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-18 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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6Z2P
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![BU of 6z2p by Molmil](/molmil-images/mine/6z2p) | Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate | Descriptor: | CALCIUM ION, Glycodrosocin, O-glycan protease, ... | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-18 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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7P7P
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![BU of 7p7p by Molmil](/molmil-images/mine/7p7p) | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Giastas, P, Stratikos, E, Mpakali, A. | Deposit date: | 2021-07-20 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2. Acs Med.Chem.Lett., 13, 2022
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6Y8L
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![BU of 6y8l by Molmil](/molmil-images/mine/6y8l) | Mycobacterium thermoresistibile GyrB21 in complex with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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4MQ3
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![BU of 4mq3 by Molmil](/molmil-images/mine/4mq3) | |
4CFN
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![BU of 4cfn by Molmil](/molmil-images/mine/4cfn) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4PA1
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![BU of 4pa1 by Molmil](/molmil-images/mine/4pa1) | |
7PFS
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![BU of 7pfs by Molmil](/molmil-images/mine/7pfs) | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Giastas, P, Stratikos, E, Mpakali, A. | Deposit date: | 2021-08-12 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2. Acs Med.Chem.Lett., 13, 2022
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4CUA
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![BU of 4cua by Molmil](/molmil-images/mine/4cua) | Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA | Descriptor: | 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION | Authors: | Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J. | Deposit date: | 2014-03-17 | Release date: | 2014-08-20 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa. Plos Pathog., 10, 2014
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