4KAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kar by Molmil](/molmil-images/mine/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
|
|
4GTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtb by Molmil](/molmil-images/mine/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
|
|
4GTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtl by Molmil](/molmil-images/mine/4gtl) | |
4GTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gta by Molmil](/molmil-images/mine/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
|
|
4GTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtf by Molmil](/molmil-images/mine/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
|
|
4KAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kat by Molmil](/molmil-images/mine/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
|
|
4KAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kas by Molmil](/molmil-images/mine/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
|
|
6MLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mlk by Molmil](/molmil-images/mine/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
|
|
8EUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eua by Molmil](/molmil-images/mine/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
|
|
1O24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o24 by Molmil](/molmil-images/mine/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
|
|
1O2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o2a by Molmil](/molmil-images/mine/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
|
|
1O27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o27 by Molmil](/molmil-images/mine/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
|
|
1O28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o28 by Molmil](/molmil-images/mine/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
|
|
1O29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o29 by Molmil](/molmil-images/mine/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
|
|
1O26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o26 by Molmil](/molmil-images/mine/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
|
|
1O2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o2b by Molmil](/molmil-images/mine/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
|
|
1O25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o25 by Molmil](/molmil-images/mine/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
|
|
4RZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rzm by Molmil](/molmil-images/mine/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
|
|
7MCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mcc by Molmil](/molmil-images/mine/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
|
|
7MCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mcd by Molmil](/molmil-images/mine/7mcd) | |
2Q0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q0s by Molmil](/molmil-images/mine/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
|
|
2Q0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q0q by Molmil](/molmil-images/mine/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
|
|
8T3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t3p by Molmil](/molmil-images/mine/8t3p) | |
1EKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ekq by Molmil](/molmil-images/mine/1ekq) | |
1ESJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1esj by Molmil](/molmil-images/mine/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
|
|