5HD8
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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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1BX4
| STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS | Descriptor: | ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mathews, I.I, Erion, M.D, Ealick, S.E. | Deposit date: | 1998-10-13 | Release date: | 1999-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human adenosine kinase at 1.5 A resolution. Biochemistry, 37, 1998
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3G4A
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3G4C
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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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6APF
| Trans-acting transferase from Disorazole synthase complexed with Citrate. | Descriptor: | CITRIC ACID, DisD protein, GLYCEROL, ... | Authors: | Mathews, I.I, Lyubimov, A, Soltis, M, Khosla, C, Cohen, A, Robbins, T. | Deposit date: | 2017-08-17 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry, 56, 2017
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6APG
| Trans-acting transferase from Disorazole synthase with malonate | Descriptor: | CALCIUM ION, DisD protein, GLYCEROL, ... | Authors: | Mathews, I.I, Lyubimov, A.Y, Soltis, S.M, Khosla, C, Robbins, T, Cohen, A.E. | Deposit date: | 2017-08-17 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry, 56, 2017
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3RGG
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7MCD
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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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7SMJ
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7T2V
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7T2T
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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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3N0C
| TM0449 mutant crystal grown by hanging drop method | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | Authors: | Mathews, I.I. | Deposit date: | 2010-05-13 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr., 43, 2010
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3N0B
| TM0449 mutant crystals grown in loops/micromounts | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | Authors: | Mathews, I.I. | Deposit date: | 2010-05-13 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr., 43, 2010
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7SEI
| Glucose-6-phosphate 1-dehydrogenase (K403Q) | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D. | Deposit date: | 2021-09-30 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants. J.Biol.Chem., 298, 2022
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7SEH
| Glucose-6-phosphate 1-dehydrogenase (K403QdLtL) | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D. | Deposit date: | 2021-09-30 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants. J.Biol.Chem., 298, 2022
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4GTC
| T. Maritima FDTS (E144R mutant) plus FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GT9
| T. Maritima FDTS with FAD, dUMP and Folate. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 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 (1.39 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTD
| T. Maritima FDTS (E144R mutant) with FAD and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTE
| T. Maritima FDTS (E144R mutant) with FAD and Folate | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 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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