4KAR
 
 | | Crystal structure of FDTS (TM0449) mutant (H53D) with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NONAETHYLENE GLYCOL, Thymidylate synthase | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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4GTB
 | | T. Maritima FDTS with FAD, dUMP, and Raltitrexed. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTL
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4GTA
 | | T. Maritima FDTS with FAD, dUMP, and Folinic Acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTF
 | | T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4KAT
 | | Crystal structure of FDTS from T. maritima mutant (R174K) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Thymidylate synthase | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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4KAS
 | | Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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6MLK
 | | Structure of Thioesterase from DEBS with a thioesterase-specific antibody | | Descriptor: | 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6, CHLORIDE ION, ... | | Authors: | Mathews, I.I, Li, X, Khosla, C. | | Deposit date: | 2018-09-27 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase.
Biochemistry, 57, 2018
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8EUA
 | | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | | Deposit date: | 2022-10-18 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
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1O24
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima at 2.0 A resolution | | Descriptor: | Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O2A
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD at 1.8 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O27
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and BrdUMP at 2.3 A resolution | | Descriptor: | 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O28
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FdUMP at 2.1 A resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TRIETHYLENE GLYCOL, ... | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O29
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and FdUMP at 2.0 A resolution | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O26
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and dUMP at 1.6 A resolution | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O2B
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and PO4 at 2.45 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O25
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with dUMP at 2.4 A resolution | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-20 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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4RZM
 | | Crystal structure of the Lsd19-lasalocid A complex | | Descriptor: | CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ... | | Authors: | Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y. | | Deposit date: | 2014-12-22 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis.
J.Am.Chem.Soc., 137, 2015
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7MCC
 | | Crystal structure of an AI-designed TIM-barrel F2C | | Descriptor: | AI-designed TIM-barrel F2C, SULFATE ION | | Authors: | Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.S. | | Deposit date: | 2021-04-02 | | Release date: | 2022-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Protein sequence design with a learned potential.
Nat Commun, 13, 2022
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7MCD
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2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | Descriptor: | Aryl esterase, SULFATE ION | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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2Q0Q
 | | Structure of the Native M. Smegmatis Aryl Esterase | | Descriptor: | GLYCEROL, SULFATE ION, aryl esterase | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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8T3P
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1EKQ
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1ESJ
 | | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | | Descriptor: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | | Deposit date: | 2000-04-10 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
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