6WYI
 
 | | Crystal structure of EchA19, enoyl-CoA hydratase from Mycobacterium tuberculosis | | Descriptor: | EchA19, enoyl-CoA hydratase, MAGNESIUM ION | | Authors: | Bonds, A.C, Garcia-Diaz, M, Sampson, N.S. | | Deposit date: | 2020-05-13 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.915 Å) | | Cite: | Post-translational Succinylation ofMycobacterium tuberculosisEnoyl-CoA Hydratase EchA19 Slows Catalytic Hydration of Cholesterol Catabolite 3-Oxo-chol-4,22-diene-24-oyl-CoA.
Acs Infect Dis., 6, 2020
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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
 | | 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: | 2024-10-09 | | 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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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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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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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
 | | 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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5BMM
 | | Src in complex with DNA-templated macrocyclic inhibitor MC25b | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC25b | | Authors: | Georghiou, G, Guja, K.E, Aleem, S, Kleiner, R.E, Liu, D.R, Miller, W.T, Garcia-Diaz, M, Seeliger, M.A. | | Deposit date: | 2015-05-22 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Biochemical Basis for Intracellular Kinase Inhibition by Src-specific Peptidic Macrocycles.
Cell Chem Biol, 23, 2016
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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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4I9L
 | | Crystal structure of the D714A mutant of RB69 DNA polymerase | | Descriptor: | CHLORIDE ION, DNA polymerase, GUANOSINE, ... | | Authors: | Jacewicz, A, Trzemecka, A, Guja, K.E, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M. | | Deposit date: | 2012-12-05 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 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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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: | 2024-10-23 | | 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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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
 | | 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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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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5CO0
 | | Crystal Structure of the MTERF1 Y288A substitution bound to the termination sequence. | | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), POTASSIUM ION, ... | | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | Deposit date: | 2015-07-18 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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4I9Q
 | | 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: | 2012-12-05 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 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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5CKY
 | | Crystal Structure of the MTERF1 R162A substitution bound to the termination sequence. | | Descriptor: | 5' -D (*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3', 5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3', Transcription termination factor 1, ... | | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | Deposit date: | 2015-07-15 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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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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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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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: | 2024-10-16 | | 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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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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5CRK
 | | Crystal Structure of the MTERF1 F243A substitution bound to the termination sequence. | | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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5CRJ
 | | Crystal Structure of the MTERF1 F322A substitution bound to the termination sequence. | | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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4GC9
 | | Crystal structure of murine TFB1M in complex with SAM | | 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: | 2012-07-30 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.103 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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4OIM
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate | | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ACETATE ION, 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: | 2014-01-20 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy.
Chemmedchem, 9, 2014
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