1LYV
 
 | | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN-TYROSINE PHOSPHATASE YOPH | | Authors: | Evdokimov, A.G, Waugh, D.S, Routzahn, K, Tropea, J, Cherry, S. | | Deposit date: | 2002-06-08 | | Release date: | 2002-07-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.363 Å) | | Cite: | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate.
To be Published
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1LVB
 | | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | Deposit date: | 2002-05-28 | | Release date: | 2002-11-27 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
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3MMG
 | | Crystal structure of tobacco vein mottling virus protease | | Descriptor: | FORMIC ACID, Nuclear inclusion protein A, Nuclear inclusion protein B fragment | | Authors: | Ping, S, Austin, B.P, Tozser, J, Waugh, D.S. | | Deposit date: | 2010-04-19 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural determinants of tobacco vein mottling virus protease substrate specificity.
Protein Sci., 19, 2010
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4A0E
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6XBC
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6XBB
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6W7L
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.856 Å) | | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
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6W4R
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-11 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Tdp1 catalytic domain
To Be Published
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6W7K
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
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6W7J
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ635p | | Descriptor: | 1,2-ETHANEDIOL, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Tdp1 catalytic domain
To Be Published
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1RFA
 | | NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1 | | Descriptor: | RAF1 | | Authors: | Emerson, S.D, Madison, V.S, Palermo, R.E, Waugh, D.S, Scheffler, J.E, Tsao, K.-L, Kiefer, S.E, Liu, S.P, Fry, D.C. | | Deposit date: | 1995-04-26 | | Release date: | 1996-06-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface.
Biochemistry, 34, 1995
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4WME
 | | Crystal structure of catalytically inactive MERS-CoV 3CL Protease (C148A) in spacegroup C2 | | Descriptor: | 1,2-ETHANEDIOL, MERS-CoV 3CL protease | | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | | Deposit date: | 2014-10-08 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
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4WMF
 | | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121 | | Descriptor: | DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL | | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | | Deposit date: | 2014-10-08 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
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4M2Z
 | | Crystal structure of RNASE III complexed with double-stranded RNA and CMP (TYPE II CLEAVAGE) | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA10, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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4M30
 | | Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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4WMD
 | | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221 | | Descriptor: | DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ... | | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | | Deposit date: | 2014-10-08 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.585 Å) | | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
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4WOH
 | | Structure of of human dual-specificity phosphatase 22 (E24A/K28A/K30A/C88S) complexed with 4-nitrophenolphosphate | | Descriptor: | 1,2-ETHANEDIOL, 4-NITROPHENYL PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2014-10-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural analysis of human dual-specificity phosphatase 22 complexed with a phosphotyrosine-like substrate.
Acta Crystallogr.,Sect.F, 71, 2015
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4Y2E
 | | Crystal structure of the catalytic domain of human dual-specificity phosphatase 7 (C232S) | | Descriptor: | Dual specificity protein phosphatase 7, PHOSPHATE ION | | Authors: | Lountos, G.T, Austin, B.P, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2015-02-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure of human dual-specificity phosphatase 7, a potential cancer drug target.
Acta Crystallogr.,Sect.F, 71, 2015
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6APX
 | | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
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2AOA
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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6D3F
 | | Crystal Structure of the PTP epsilon D2 domain | | Descriptor: | Receptor-type tyrosine-protein phosphatase epsilon | | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.271 Å) | | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
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2EZ6
 | | Crystal structure of Aquifex aeolicus RNase III (D44N) complexed with product of double-stranded RNA processing | | Descriptor: | 28-MER, MAGNESIUM ION, Ribonuclease III | | Authors: | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | | Deposit date: | 2005-11-10 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insight into the Mechanism of Double-Stranded RNA Processing by Ribonuclease III.
Cell(Cambridge,Mass.), 124, 2006
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6D65
 | | Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 | | Descriptor: | Designed AR protein off7, ETHANOL, GLYCEROL, ... | | Authors: | Gumpena, R, Lountos, G.T, Waugh, D.S. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6D4F
 | | Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D) | | Descriptor: | PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon | | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | | Deposit date: | 2018-04-18 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
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