1JMH
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1JMG
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3P5S
| Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD38 molecule, SULFATE ION, ... | Authors: | Egea, P.F, Muller-Stauffler, H, Kohn, I, Cakou-Kefir, C, Stroud, R.M, Kellenberburger, E, Schuber, F. | Deposit date: | 2010-10-10 | Release date: | 2011-10-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. Plos One, 7, 2012
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3R1F
| Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis | Descriptor: | ESX-1 secretion-associated regulator EspR | Authors: | Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S. | Deposit date: | 2011-03-10 | Release date: | 2011-08-03 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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1BQ2
| E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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1BQ1
| E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-05-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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7ICD
| REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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1YTJ
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1YTH
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | HIV PROTEASE, PEPTIDE PRODUCT | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1YTG
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | HIV PROTEASE, PEPTIDE PRODUCT | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1YTI
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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2A9W
| E. coli TS complexed with dUMP and inhibitor GA9 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-12 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
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2AXY
| Crystal Structure of KH1 domain of human Poly(C)-binding protein-2 with C-rich strand of human telomeric DNA | Descriptor: | C-rich strand of human telomeric dna, Poly(rC)-binding protein 2 | Authors: | Du, Z, Lee, J.K, Tjhen, R.J, Li, S, Stroud, R.M, James, T.L. | Deposit date: | 2005-09-06 | Release date: | 2005-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the First KH Domain of Human Poly(C)-binding Protein-2 in Complex with a C-rich Strand of Human Telomeric DNA at 1.7 A J.Biol.Chem., 280, 2005
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2BCE
| CHOLESTEROL ESTERASE FROM BOS TAURUS | Descriptor: | CHOLESTEROL ESTERASE | Authors: | Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. | Deposit date: | 1998-01-28 | Release date: | 1999-02-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation. Biochemistry, 37, 1998
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2AID
| STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | 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: | 2023-08-09 | 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
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2BE1
| Structure of the compact lumenal domain of yeast Ire1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, peptide | Authors: | Credle, J.J, Finer-Moore, J.S, Papa, F.R, Stroud, R.M, Walter, P. | Deposit date: | 2005-10-21 | Release date: | 2005-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.983 Å) | Cite: | Inaugural Article: On the mechanism of sensing unfolded protein in the endoplasmic reticulum Proc.Natl.Acad.Sci.Usa, 102, 2005
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1JTU
| E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-22 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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1KCE
| E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 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
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1NG1
| N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CADMIUM ION, ... | Authors: | Freymann, D.M, Stroud, R.M, Walter, P. | Deposit date: | 1998-04-30 | Release date: | 1999-07-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP. Nat.Struct.Biol., 6, 1999
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1NN6
| Human Pro-Chymase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase | Authors: | Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M. | Deposit date: | 2003-01-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of human pro-chymase: a model for the activating transition of granule-associated proteases. Biochemistry, 42, 2003
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1SJS
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1TRG
| E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1998-05-21 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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1TSX
| THYMIDYLATE SYNTHASE R179E MUTANT | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | 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
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1TSZ
| THYMIDYLATE SYNTHASE R179K MUTANT | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | 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
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1TVU
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