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4KAR
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BU of 4kar by Molmil
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
4KAT
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BU of 4kat by Molmil
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
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BU of 4kas by Molmil
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
6APF
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BU of 6apf by Molmil
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
6APG
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BU of 6apg by Molmil
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
1BX4
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BU of 1bx4 by Molmil
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
1D7A
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BU of 1d7a by Molmil
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
1O24
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BU of 1o24 by Molmil
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
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BU of 1o2a by Molmil
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
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BU of 1o27 by Molmil
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
1O26
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BU of 1o26 by Molmil
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
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BU of 1o2b by Molmil
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
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BU of 1o25 by Molmil
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
1O28
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BU of 1o28 by Molmil
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
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BU of 1o29 by Molmil
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
5HD8
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BU of 5hd8 by Molmil
Crystal structure of disulfide cross-linked D417C ClC-ec1
Descriptor: CHLORIDE ION, FAB FRAGMENT (HEAVY CHAIN), FAB FRAGMENT (LIGHT CHAIN), ...
Authors:Mathews, I.I, Khantwal, C.M, Maduke, M.
Deposit date:2016-01-05
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformational change in CLC transporters: beyond the rotation of Gluex
To be published
6MLK
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BU of 6mlk by Molmil
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
3G4A
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BU of 3g4a by Molmil
Crystal structure of flavine dependant thymidylate synthase S88A mutant from Thermotoga maritima at 1.95 angstrom resolution
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
Authors:Mathews, I.I, Lesley, S.A, Kohen, A.
Deposit date:2009-02-03
Release date:2009-04-07
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Nature, 458, 2009
3G4C
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BU of 3g4c by Molmil
Flavine dependant thymidylate syntahse S88C mutant
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
Authors:Mathews, I.I, Lesley, S.A, Kohen, A.
Deposit date:2009-02-03
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Nature, 458, 2009
6APM
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BU of 6apm by Molmil
Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation
Descriptor: Lysozyme C, SODIUM ION
Authors:Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Soltis, S.M, Cohen, A.E.
Deposit date:2017-08-17
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 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
6APK
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BU of 6apk by Molmil
Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography
Descriptor: DisD protein
Authors:Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E.
Deposit date:2017-08-17
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 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
3HAT
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BU of 3hat by Molmil
ACTIVE SITE MIMETIC INHIBITION OF THROMBIN
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), FPAM (FIBRINOPEPTIDE A MIMIC), ...
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1994-10-16
Release date:1995-02-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
3N0C
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BU of 3n0c by Molmil
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
3N0B
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BU of 3n0b by Molmil
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
7MCD
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BU of 7mcd by Molmil
Crystal structure of an AI-designed TIM-barrel F15C
Descriptor: AI-designed TIM-barrel F15C
Authors:Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.
Deposit date:2021-04-02
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein sequence design with a learned potential.
Nat Commun, 13, 2022

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