2G5U
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![BU of 2g5u by Molmil](/molmil-images/mine/2g5u) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl | Descriptor: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-02-23 | Release date: | 2006-03-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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2G9K
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![BU of 2g9k by Molmil](/molmil-images/mine/2g9k) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl | Descriptor: | 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-06 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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7SVT
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![BU of 7svt by Molmil](/molmil-images/mine/7svt) | Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2021-11-19 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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6DRQ
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![BU of 6drq by Molmil](/molmil-images/mine/6drq) | |
5H8U
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![BU of 5h8u by Molmil](/molmil-images/mine/5h8u) | Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYOXYLIC ACID, MAGNESIUM ION, ... | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | Deposit date: | 2015-12-23 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
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5H8M
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![BU of 5h8m by Molmil](/molmil-images/mine/5h8m) | Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | Deposit date: | 2015-12-23 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
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5H8P
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![BU of 5h8p by Molmil](/molmil-images/mine/5h8p) | |
4UBE
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![BU of 4ube by Molmil](/molmil-images/mine/4ube) | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C. | Deposit date: | 2014-08-12 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE TO BE PUBLISHED
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6MJ1
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![BU of 6mj1 by Molmil](/molmil-images/mine/6mj1) | |
2SBA
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![BU of 2sba by Molmil](/molmil-images/mine/2sba) | SOYBEAN AGGLUTININ COMPLEXED WITH 2,6-PENTASACCHARIDE | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structure of the soybean agglutinin cross-linked with a biantennary analog of the blood group I carbohydrate antigen. Biochemistry, 34, 1995
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3IFB
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![BU of 3ifb by Molmil](/molmil-images/mine/3ifb) | NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 1998-10-16 | Release date: | 1998-10-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit. J.Biomol.NMR, 9, 1997
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4XRB
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![BU of 4xrb by Molmil](/molmil-images/mine/4xrb) | |
3VFF
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![BU of 3vff by Molmil](/molmil-images/mine/3vff) | |
3VFH
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![BU of 3vfh by Molmil](/molmil-images/mine/3vfh) | |
4UAQ
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![BU of 4uaq by Molmil](/molmil-images/mine/4uaq) | Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis | Descriptor: | Protein translocase subunit SecA 2 | Authors: | Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2014-08-11 | Release date: | 2015-09-09 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2. J.Bacteriol., 198, 2015
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4FB7
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![BU of 4fb7 by Molmil](/molmil-images/mine/4fb7) | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase | Authors: | Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-05-22 | Release date: | 2012-06-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis To be Published
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4FQS
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![BU of 4fqs by Molmil](/molmil-images/mine/4fqs) | Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C. | Deposit date: | 2012-06-25 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition To be Published
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4FOA
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![BU of 4foa by Molmil](/molmil-images/mine/4foa) | |
4FN7
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![BU of 4fn7 by Molmil](/molmil-images/mine/4fn7) | Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c) | Descriptor: | CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | "Crystal Structure and Mechanism of the Prokaryotic Enoyl-CoA Isomerase (ECI)" To be Published
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4FB8
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![BU of 4fb8 by Molmil](/molmil-images/mine/4fb8) | Crystal Structure of apo Acyl-CoA Carboxylase | Descriptor: | Probable propionyl-CoA carboxylase beta chain 6 | Authors: | Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-05-22 | Release date: | 2014-02-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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4FN8
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![BU of 4fn8 by Molmil](/molmil-images/mine/4fn8) | Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA | Descriptor: | ACETOACETYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase (ECI) To be Published
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4FNB
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![BU of 4fnb by Molmil](/molmil-images/mine/4fnb) | Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA | Descriptor: | 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase To be Published
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1HMP
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![BU of 1hmp by Molmil](/molmil-images/mine/1hmp) | THE CRYSTAL STRUCTURE OF HUMAN HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH BOUND GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE GUANINE PHOSPHORIBOSYL-TRANSFERASE | Authors: | Eads, J.C, Scapin, G, Xu, Y, Grubmeyer, C, Sacchettini, J.C. | Deposit date: | 1994-06-03 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of human hypoxanthine-guanine phosphoribosyltransferase with bound GMP. Cell(Cambridge,Mass.), 78, 1994
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5IH2
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![BU of 5ih2 by Molmil](/molmil-images/mine/5ih2) | Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H. | Deposit date: | 2016-02-28 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl. Biophys.J., 110, 2016
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6U78
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![BU of 6u78 by Molmil](/molmil-images/mine/6u78) | Rv3722c in complex with glutamic acid | Descriptor: | Aminotransferase, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Mandyoli, L, Sacchettini, J.C. | Deposit date: | 2019-08-31 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis. Nat Commun, 11, 2020
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