1D7A
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![BU of 1d7a by Molmil](/molmil-images/mine/1d7a) | CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX. | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE | Authors: | Mathews, I.I, Kappock, T.J, Stubbe, J, Ealick, S.E. | Deposit date: | 1999-10-16 | Release date: | 1999-12-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway. Structure Fold.Des., 7, 1999
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6MLK
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![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
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5HD8
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4KAT
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![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
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4KAS
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![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
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4KAR
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![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
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7MH4
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![BU of 7mh4 by Molmil](/molmil-images/mine/7mh4) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-bromotyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH9
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![BU of 7mh9 by Molmil](/molmil-images/mine/7mh9) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-nitrotyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH5
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![BU of 7mh5 by Molmil](/molmil-images/mine/7mh5) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-iodotyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH8
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![BU of 7mh8 by Molmil](/molmil-images/mine/7mh8) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-methyltyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH3
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![BU of 7mh3 by Molmil](/molmil-images/mine/7mh3) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-chlorotyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J.B, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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6APF
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![BU of 6apf by Molmil](/molmil-images/mine/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
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![BU of 6apg by Molmil](/molmil-images/mine/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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3G4C
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![BU of 3g4c by Molmil](/molmil-images/mine/3g4c) | |
3G4A
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![BU of 3g4a by Molmil](/molmil-images/mine/3g4a) | |
7MCC
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![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
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7MCD
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8EUA
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![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
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8VTJ
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1BX4
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![BU of 1bx4 by Molmil](/molmil-images/mine/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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2Q0S
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![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
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2Q0Q
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![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
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3N0C
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![BU of 3n0c by Molmil](/molmil-images/mine/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
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![BU of 3n0b by Molmil](/molmil-images/mine/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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4GTC
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![BU of 4gtc by Molmil](/molmil-images/mine/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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