4FOA
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2PKN
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![BU of 2pkn by Molmil](/molmil-images/mine/2pkn) | Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog) | Descriptor: | Adenosine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-18 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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1UCK
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![BU of 1uck by Molmil](/molmil-images/mine/1uck) | Mutants of RNase Sa | Descriptor: | Guanyl-specific ribonuclease Sa, SULFATE ION | Authors: | Takano, K, Scholtz, J.M, Sacchettini, J.C, Pace, C.N. | Deposit date: | 2003-04-15 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The contribution of polar group burial to protein stability is strongly context-dependent J.Biol.Chem., 278, 2003
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3FMF
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1UCJ
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![BU of 1ucj by Molmil](/molmil-images/mine/1ucj) | Mutants of RNase Sa | Descriptor: | Guanyl-specific ribonuclease Sa, SULFATE ION | Authors: | Takano, K, Scholtz, J.M, Sacchettini, J.C, Pace, C.N. | Deposit date: | 2003-04-15 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The contribution of polar group burial to protein stability is strongly context-dependent J.Biol.Chem., 278, 2003
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3GLZ
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![BU of 3glz by Molmil](/molmil-images/mine/3glz) | Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11) | Descriptor: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-12 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis Plos One, 4, 2009
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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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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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2NTV
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![BU of 2ntv by Molmil](/molmil-images/mine/2ntv) | Mycobacterium leprae InhA bound with PTH-NAD adduct | Descriptor: | Enoyl-[ACP] reductase, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Wang, F, Sacchettini, J.C. | Deposit date: | 2006-11-08 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of thioamide drug action against tuberculosis and leprosy. J.Exp.Med., 204, 2007
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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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1TPY
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4FJW
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3GS4
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![BU of 3gs4 by Molmil](/molmil-images/mine/3gs4) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | Descriptor: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-26 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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2OZ0
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![BU of 2oz0 by Molmil](/molmil-images/mine/2oz0) | Mechanistic and Structural Studies of H373Q Flavocytochrome b2: Effects of Mutating the Active Site Base | Descriptor: | Cytochrome b2, FLAVIN MONONUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tsai, C.-L, Gokulan, K, Sobrado, P, Sacchettini, J.C, Fitzpatrick, P.F. | Deposit date: | 2007-02-23 | Release date: | 2007-09-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and structural studies of H373Q flavocytochrome b2: effects of mutating the active site base. Biochemistry, 46, 2007
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3GS7
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![BU of 3gs7 by Molmil](/molmil-images/mine/3gs7) | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | Descriptor: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-26 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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2PCP
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![BU of 2pcp by Molmil](/molmil-images/mine/2pcp) | ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | Deposit date: | 1998-06-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine. J.Biol.Chem., 273, 1998
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3DDN
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3DHY
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![BU of 3dhy by Molmil](/molmil-images/mine/3dhy) | Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors | Descriptor: | 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-06-19 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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3DOD
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4FND
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![BU of 4fnd by Molmil](/molmil-images/mine/4fnd) | Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA | Descriptor: | (S)-3-Hydroxyhexanoyl-CoA, 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 (1.85 Å) | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase To be Published
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4FOG
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![BU of 4fog by Molmil](/molmil-images/mine/4fog) | Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 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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4FOX
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![BU of 4fox by Molmil](/molmil-images/mine/4fox) | Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-21 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 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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3HDF
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3HEM
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![BU of 3hem by Molmil](/molmil-images/mine/3hem) | |