4OXN
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![BU of 4oxn by Molmil](/molmil-images/mine/4oxn) | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2926 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXK
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![BU of 4oxk by Molmil](/molmil-images/mine/4oxk) | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8429 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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1NZP
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![BU of 1nzp by Molmil](/molmil-images/mine/1nzp) | Solution Structure of the Lyase Domain of Human DNA Polymerase Lambda | Descriptor: | DNA polymerase lambda | Authors: | DeRose, E.F, Kirby, T.W, Mueller, G.A, Bebenek, K, Garcia-Diaz, M, Blanco, L, Kunkel, T.A, London, R.E. | Deposit date: | 2003-02-19 | Release date: | 2003-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Lyase Domain of Human DNA Polymerase Lambda Biochemistry, 42, 2003
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5UVG
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![BU of 5uvg by Molmil](/molmil-images/mine/5uvg) | Crystal structure of the human neutral sphingomyelinase 2 (nSMase2) catalytic domain with insertion deleted and calcium bound | Descriptor: | CALCIUM ION, Sphingomyelin phosphodiesterase 3,Sphingomyelin phosphodiesterase 3 | Authors: | Airola, M.V, Guja, K.E, Garcia-Diaz, M, Hannun, Y.A. | Deposit date: | 2017-02-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structure of human nSMase2 reveals an interdomain allosteric activation mechanism for ceramide generation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1RZT
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![BU of 1rzt by Molmil](/molmil-images/mine/1rzt) | Crystal structure of DNA polymerase lambda complexed with a two nucleotide gap DNA molecule | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*G)-3', ... | Authors: | Pedersen, L.C, Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Blanco, L, Kunkel, T.A. | Deposit date: | 2003-12-29 | Release date: | 2004-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural solution for the DNA polymerase lambda-dependent repair of DNA gaps with minimal homology. Mol.Cell, 13, 2004
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4KHN
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![BU of 4khn by Molmil](/molmil-images/mine/4khn) | Crystal structure of the ternary complex of the D714A mutant of RB69 DNA polymerase | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | Authors: | Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M. | Deposit date: | 2013-04-30 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Remote Palm Domain Residue of RB69 DNA Polymerase Is Critical for Enzyme Activity and Influences the Conformation of the Active Site. Plos One, 8, 2013
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4WNB
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![BU of 4wnb by Molmil](/molmil-images/mine/4wnb) | Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis bound to 3-OPC-CoA | Descriptor: | 3-oxo-4-pregnene-20-carboxyl-Coenzyme A, CADMIUM ION, CALCIUM ION, ... | Authors: | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | Deposit date: | 2014-10-11 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
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4X28
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![BU of 4x28 by Molmil](/molmil-images/mine/4x28) | Crystal structure of the ChsE4-ChsE5 complex from Mycobacterium tuberculosis | Descriptor: | Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | Authors: | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | Deposit date: | 2014-11-26 | Release date: | 2015-02-18 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Unraveling Cholesterol Catabolism in Mycobacterium tuberculosis: ChsE4-ChsE5 alpha 2 beta 2 Acyl-CoA Dehydrogenase Initiates beta-Oxidation of 3-Oxo-cholest-4-en-26-oyl CoA. Acs Infect Dis., 1, 2015
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7LG9
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![BU of 7lg9 by Molmil](/molmil-images/mine/7lg9) | ChsB1 | Descriptor: | 3-ketoacyl-ACP reductase | Authors: | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | Deposit date: | 2021-01-19 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA. Acs Infect Dis., 7, 2021
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7LGB
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![BU of 7lgb by Molmil](/molmil-images/mine/7lgb) | ChsB1 in complex with NAD+ | Descriptor: | 3-ketoacyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | Deposit date: | 2021-01-19 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA. Acs Infect Dis., 7, 2021
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7LBX
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![BU of 7lbx by Molmil](/molmil-images/mine/7lbx) | |
7LBW
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![BU of 7lbw by Molmil](/molmil-images/mine/7lbw) | |
4OHU
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![BU of 4ohu by Molmil](/molmil-images/mine/4ohu) | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-01-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4P4O
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![BU of 4p4o by Molmil](/molmil-images/mine/4p4o) | Crystal structure of Leishmania infantum polymerase beta: Ternary gap complex | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*T)-3'), DNA (5'-D(P*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3001 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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4P4P
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![BU of 4p4p by Molmil](/molmil-images/mine/4p4p) | Crystal structure of Leishmania infantum polymerase beta: Nick complex | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(P*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2973 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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4P4M
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![BU of 4p4m by Molmil](/molmil-images/mine/4p4m) | Crystal structure of Leishmania infantum polymerase beta: Ternary P/T complex | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(P*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T.A, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9185 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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4X5V
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![BU of 4x5v by Molmil](/molmil-images/mine/4x5v) | Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating A and incorporated 8-oxo-dGMP | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(8OG))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2014-12-05 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda. Nucleic Acids Res., 43, 2015
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4XA5
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![BU of 4xa5 by Molmil](/molmil-images/mine/4xa5) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating A and an incoming 8-oxo-dGTP | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ACETATE ION, DNA polymerase lambda, ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2014-12-12 | Release date: | 2016-02-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda. Nucleic Acids Res., 43, 2015
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4XUS
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![BU of 4xus by Molmil](/molmil-images/mine/4xus) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating A and an incoming dTTP | Descriptor: | 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2015-01-26 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda. Nucleic Acids Res., 43, 2015
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3T88
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![BU of 3t88 by Molmil](/molmil-images/mine/3t88) | Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T8A
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![BU of 3t8a by Molmil](/molmil-images/mine/3t8a) | Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, o-succinylbenzoyl-N-coenzyme A | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T8B
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![BU of 3t8b by Molmil](/molmil-images/mine/3t8b) | Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T89
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![BU of 3t89 by Molmil](/molmil-images/mine/3t89) | Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL, MALONATE ION | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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4FZV
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![BU of 4fzv by Molmil](/molmil-images/mine/4fzv) | Crystal structure of the human MTERF4:NSUN4:SAM ternary complex | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Putative methyltransferase NSUN4, ... | Authors: | Guja, K.E, Yakubovskaya, E, Mejia, E, Castano, S, Hambardjieva, E, Choi, W.S, Garcia-Diaz, M. | Deposit date: | 2012-07-08 | Release date: | 2012-10-03 | Last modified: | 2012-11-28 | Method: | X-RAY DIFFRACTION (1.9996 Å) | Cite: | Structure of the Essential MTERF4:NSUN4 Protein Complex Reveals How an MTERF Protein Collaborates to Facilitate rRNA Modification. Structure, 20, 2012
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4GC5
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![BU of 4gc5 by Molmil](/molmil-images/mine/4gc5) | Crystal structure of murine TFB1M | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | Deposit date: | 2012-07-29 | Release date: | 2013-07-10 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1. Nucleic Acids Res., 41, 2013
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