8S9L
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![BU of 8s9l by Molmil](/molmil-images/mine/8s9l) | Structure of monomeric FAM111A SPD V347D Mutant | Descriptor: | SULFATE ION, Serine protease FAM111A | Authors: | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | Deposit date: | 2023-03-29 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun, 15, 2024
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8S9K
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![BU of 8s9k by Molmil](/molmil-images/mine/8s9k) | Structure of dimeric FAM111A SPD S541A Mutant | Descriptor: | GLYCEROL, Serine protease FAM111A | Authors: | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | Deposit date: | 2023-03-29 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun, 15, 2024
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1Y8T
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![BU of 1y8t by Molmil](/molmil-images/mine/1y8t) | |
2Z9I
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![BU of 2z9i by Molmil](/molmil-images/mine/2z9i) | |
2B9A
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![BU of 2b9a by Molmil](/molmil-images/mine/2b9a) | Human transthyretin (TTR) complexed with diflunisal analogues- TTR.3',5'-difluorobiphenyl-4-carboxylic acid | Descriptor: | 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-10-11 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis. J.Med.Chem., 47, 2004
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2B77
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![BU of 2b77 by Molmil](/molmil-images/mine/2b77) | Human transthyretin (TTR) complexed with Diflunisal analogues- TTR.2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID | Descriptor: | 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-10-03 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. J.Med.Chem., 47, 2004
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3D7P
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![BU of 3d7p by Molmil](/molmil-images/mine/3d7p) | Crystal structure of human Transthyretin (TTR) at pH 4.0 | Descriptor: | Transthyretin | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2008-05-21 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural insight into pH-induced conformational changes within the native human transthyretin tetramer. J.Mol.Biol., 382, 2008
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3D2T
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![BU of 3d2t by Molmil](/molmil-images/mine/3d2t) | |
2GAB
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![BU of 2gab by Molmil](/molmil-images/mine/2gab) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl | Descriptor: | 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-08 | Release date: | 2006-03-21 | 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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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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2FBR
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![BU of 2fbr by Molmil](/molmil-images/mine/2fbr) | |
2FLM
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![BU of 2flm by Molmil](/molmil-images/mine/2flm) | |
2F8I
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![BU of 2f8i by Molmil](/molmil-images/mine/2f8i) | Human transthyretin (TTR) complexed with Benzoxazole | Descriptor: | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C, Kelly, J.W. | Deposit date: | 2005-12-02 | Release date: | 2005-12-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | Benzoxazoles as transthyretin amyloid fibril inhibitors: synthesis, evaluation, and mechanism of action Angew.Chem.Int.Ed.Engl., 42, 2003
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2F7I
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![BU of 2f7i by Molmil](/molmil-images/mine/2f7i) | Human transthyretin (TTR) complexed with diflunisal analogues- TTR. 2',6'-Difluorobiphenyl-4-carboxylic Acid | Descriptor: | 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-11-30 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis. J.Med.Chem., 47, 2004
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2RHB
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![BU of 2rhb by Molmil](/molmil-images/mine/2rhb) | Crystal structure of Nsp15-H234A mutant- Hexamer in asymmetric unit | Descriptor: | Uridylate-specific endoribonuclease | Authors: | Palaninathan, S, Bhardwaj, K, Alcantara, J.M.O, Guarino, L, Yi, L.L, Kao, C.C, Sacchettini, J. | Deposit date: | 2007-10-08 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional analyses of the severe acute respiratory syndrome coronavirus endoribonuclease Nsp15. J.Biol.Chem., 283, 2008
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3N8K
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![BU of 3n8k by Molmil](/molmil-images/mine/3n8k) | Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid | Descriptor: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-05-28 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N86
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![BU of 3n86 by Molmil](/molmil-images/mine/3n86) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | Descriptor: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N87
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![BU of 3n87 by Molmil](/molmil-images/mine/3n87) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 3 | Descriptor: | (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N7A
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![BU of 3n7a by Molmil](/molmil-images/mine/3n7a) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2 | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N8N
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![BU of 3n8n by Molmil](/molmil-images/mine/3n8n) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6 | Descriptor: | (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N76
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![BU of 3n76 by Molmil](/molmil-images/mine/3n76) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5 | Descriptor: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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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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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | Descriptor: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3GS0
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![BU of 3gs0 by Molmil](/molmil-images/mine/3gs0) | Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16) | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic 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 (1.85 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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