Author results

1YTW
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YERSINIA PTPASE COMPLEXED WITH TUNGSTATE
Descriptor:YERSINIA PROTEIN TYROSINE PHOSPHATASE, TUNGSTATE(VI)ION, SULFATE ION
Authors:Fauman, E.B., Schubert, H.L., Saper, M.A.
Deposit date:1996-05-01
Release date:1996-11-08
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications.
J.Biol.Chem., 271, 1996
1C25
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HUMAN CDC25A CATALYTIC DOMAIN
Descriptor:CDC25A
Authors:Fauman, E.B., Cogswell, J.P., Lovejoy, B., Rocque, W.J., Holmes, W., Montana, V.G., Piwnica-Worms, H., Rink, M.J., Saper, M.A.
Deposit date:1998-04-17
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the catalytic domain of the human cell cycle control phosphatase, Cdc25A.
Cell(Cambridge,Mass.), 93, 1998
1YTN
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HYDROLASE
Descriptor:YERSINIA PROTEIN TYROSINE PHOSPHATASE, NITRATE ION
Authors:Yuvaniyama, C., Fauman, E.B., Saper, M.A.
Deposit date:1996-05-01
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications.
J.Biol.Chem., 271, 1996
1YTS
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A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE
Descriptor:YERSINIA PROTEIN TYROSINE PHOSPHATASE, SULFATE ION
Authors:Schubert, H.L., Stuckey, J.A., Fauman, E.B., Dixon, J.E., Saper, M.A.
Deposit date:1995-04-07
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase.
Protein Sci., 4, 1995
1AID
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STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
Descriptor:HUMAN IMMUNODEFICIENCY VIRUS PROTEASE, CHLORIDE ION, 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
Authors:Rutenber, E.E., Fauman, E.B., Keenan, R.J., Stroud, R.M.
Deposit date:1997-04-16
Release date:1997-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
1EIZ
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FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE
Descriptor:FTSJ, S-ADENOSYLMETHIONINE
Authors:Bugl, H., Fauman, E.B., Staker, B.L., Zheng, F., Kushner, S.R., Saper, M.A., Bardwell, J.C.A., Jakob, U.
Deposit date:2000-02-29
Release date:2000-08-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RNA methylation under heat shock control.
Mol.Cell, 6, 2000
1EJ0
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FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE, MERCURY DERIVATIVE
Descriptor:FTSJ, MERCURY (II) ION, S-ADENOSYLMETHIONINE
Authors:Bugl, H., Fauman, E.B., Staker, B.L., Zheng, F., Kushner, S.R., Saper, M.A., Bardwell, J.C.A., Jakob, U.
Deposit date:2000-02-29
Release date:2000-08-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:RNA methylation under heat shock control.
Mol.Cell, 6, 2000
1YPT
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CRYSTAL STRUCTURE OF YERSINIA PROTEIN TYROSINE PHOSPHATASE AT 2.5 ANGSTROMS AND THE COMPLEX WITH TUNGSTATE
Descriptor:PROTEIN-TYROSINE PHOSPHATASE YERSINIA (CATALYTIC DOMAIN)
Authors:Stuckey, J.A., Schubert, H.L., Fauman, E.B., Zhang, Z.-Y., Dixon, J.E., Saper, M.A.
Deposit date:1994-09-16
Release date:1994-12-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Yersinia protein tyrosine phosphatase at 2.5 A and the complex with tungstate.
Nature, 370, 1994
2AID
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STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
Descriptor:HUMAN IMMUNODEFICIENCY VIRUS PROTEASE, CHLORIDE ION, 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
Authors:Rutenber, E.E., Fauman, E.B., Keenan, R.J., Stroud, R.M.
Deposit date:1997-04-17
Release date:1997-10-15
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
1TYS
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WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUCT COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS
Descriptor:THYMIDYLATE SYNTHASE, THYMIDINE-5'-PHOSPHATE, DIHYDROFOLIC ACID
Authors:Fauman, E., Rutenber, E., Stroud, R.
Deposit date:1993-05-07
Release date:1994-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water-mediated substrate/product discrimination: the product complex of thymidylate synthase at 1.83 A.
Biochemistry, 33, 1994
1THY
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REFINED STRUCTURES OF SUBSTRATE-BOUND AND PHOSPHATE-BOUND THYMIDYLATE SYNTHASE FROM LACTOBACILLUS CASEI
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1TRG
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E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
Authors:Stout, T.J., Sage, C.R., Stroud, R.M.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TSV
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THYMIDYLATE SYNTHASE R179A MUTANT
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSW
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THYMIDYLATE SYNTHASE R179A MUTANT
Descriptor:THYMIDYLATE SYNTHASE, PHOSPHATE ION
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSX
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THYMIDYLATE SYNTHASE R179E MUTANT
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSY
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THYMIDYLATE SYNTHASE R179K MUTANT
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSZ
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THYMIDYLATE SYNTHASE R179K MUTANT
Descriptor:THYMIDYLATE SYNTHASE, PHOSPHATE ION
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
2TDM
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STRUCTURE OF THYMIDYLATE SYNTHASE
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1997-03-28
Release date:1997-08-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
2TSC
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STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
Authors:Montfort, W.R., Stroud, R.M.
Deposit date:1991-07-03
Release date:1991-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate.
Biochemistry, 29, 1990
3TMS
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PLASTIC ADAPTATION TOWARD MUTATIONS IN PROTEINS: STRUCTURAL COMPARISON OF THYMIDYLATE SYNTHASES
Descriptor:THYMIDYLATE SYNTHASE, PHOSPHATE ION
Authors:Perry, K.M., Stroud, R.M.
Deposit date:1991-09-19
Release date:1991-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plastic adaptation toward mutations in proteins: structural comparison of thymidylate synthases.
Proteins, 8, 1990
1AJM
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CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor:THYMIDYLATE SYNTHASE
Authors:Strop, P., Montfort, W.R.
Deposit date:1997-05-06
Release date:1997-11-12
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
1AXW
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE
Authors:Stout, T.J., Sage, C.R., Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
1BJG
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D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
Descriptor:THYMIDYLATE SYNTHASE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5,10-METHYLENE-6-HYDROFOLIC ACID
Authors:Sage, C.R., Michelitsch, M.D., Finer-Moore, J., Stroud, R.M.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1KCE
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E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
Authors:Sage, C.R., Rutenber, E.E., Stout, T.J., Stroud, R.M.
Deposit date:1996-10-22
Release date:1997-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
1LCA
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND CB3717
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
Authors:Birdsall, D.L., Finer-Moore, J., Stroud, R.M.
Deposit date:1995-06-22
Release date:1995-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
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