1D4P
 
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1D3Q
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ... | | Authors: | Chirgadze, N.Y. | | Deposit date: | 1999-09-30 | | Release date: | 2000-10-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
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1DB5
 | | HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6 | | Descriptor: | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID, CALCIUM ION, PROTEIN (PHOSPHOLIPASE A2) | | Authors: | Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P. | | Deposit date: | 1999-11-02 | | Release date: | 1999-11-12 | | Last modified: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
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1D3D
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ... | | Authors: | Chirgadze, N.Y. | | Deposit date: | 1999-09-29 | | Release date: | 2000-10-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors
Protein Sci., 9, 2000
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1D3P
 | | CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ... | | Authors: | Chirgadze, N.Y. | | Deposit date: | 1999-09-30 | | Release date: | 2000-10-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
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1D3T
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1DB4
 | | HUMAN S-PLA2 IN COMPLEX WITH INDOLE 8 | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2, [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID | | Authors: | Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P. | | Deposit date: | 1999-11-02 | | Release date: | 1999-11-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
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1DCY
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1FTE
 | | CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 1) | | Descriptor: | ACYL CARRIER PROTEIN SYNTHASE, SULFATE ION | | Authors: | Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G. | | Deposit date: | 2000-09-12 | | Release date: | 2001-09-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
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1FTF
 | | CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 2) | | Descriptor: | ACYL CARRIER PROTEIN SYNTHASE | | Authors: | Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G. | | Deposit date: | 2000-09-12 | | Release date: | 2001-09-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
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1FTH
 | | CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (3'5'-ADP COMPLEX) | | Descriptor: | ACYL CARRIER PROTEIN SYNTHASE, ADENOSINE-3'-5'-DIPHOSPHATE | | Authors: | Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G. | | Deposit date: | 2000-09-12 | | Release date: | 2001-09-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
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5KEF
 | | Structure of hypothetical Staphylococcus protein SA0856 with zinc | | Descriptor: | ACETATE ION, PhnB protein, ZINC ION | | Authors: | Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y. | | Deposit date: | 2016-06-09 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
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7KEY
 | | Protein Tyrosine Phosphatase 1B, Apo | | Descriptor: | ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | | Deposit date: | 2020-10-13 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.771 Å) | | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
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7KLX
 | | Protein Tyrosine Phosphatase 1B with inhibitor | | Descriptor: | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | | Deposit date: | 2020-11-01 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
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4H1O
 | | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation | | Descriptor: | 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2012-09-11 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
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4H34
 | | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2012-09-13 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
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3CXN
 | | Structure of the Urease Accessory Protein UreF from Helicobacter pylori | | Descriptor: | GLYCEROL, Urease accessory protein ureF | | Authors: | Lam, R, Johns, K, Romanov, V, Dong, A, Wu-Brown, J, Guthrie, J, Dharamsi, A, Thambipillai, D, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2008-04-24 | | Release date: | 2009-05-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of a truncated urease accessory protein UreF from Helicobacter pylori.
Proteins, 78, 2010
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3D7R
 | | Crystal structure of a putative esterase from Staphylococcus aureus | | Descriptor: | BROMIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lam, R, Battaile, K.P, Chan, T, Romanov, V, Lam, K, Soloveychik, M, Wu-Brown, J, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2008-05-21 | | Release date: | 2009-06-09 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of a putative esterase from Staphylococcus aureus
To be Published
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4ZEG
 | | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2015-04-20 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor.
To Be Published
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2IHY
 | | Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter | | Descriptor: | ABC transporter, ATP-binding protein, SULFATE ION | | Authors: | McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2006-09-27 | | Release date: | 2007-09-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
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3SZE
 | | Crystal structure of the passenger domain of the E. coli autotransporter EspP | | Descriptor: | Serine protease espP | | Authors: | Khan, S, Mian, H.S, Sandercock, L.E, Battaile, K.P, Lam, R, Chirgadze, N.Y, Pai, E.F. | | Deposit date: | 2011-07-18 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP.
J.Mol.Biol., 413, 2011
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3B6Y
 | | Crystal Structure of the Second HIN-200 Domain of Interferon-Inducible Protein 16 | | Descriptor: | Gamma-interferon-inducible protein Ifi-16, SULFATE ION | | Authors: | Liao, J.C.C, Lam, R, Ravichandran, M, Duan, S, Tempel, W, Chirgadze, N.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure Analysis of the Second HIN Domain of IFI16.
To be Published
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3E2I
 | | Crystal structure of Thymidine Kinase from S. aureus | | Descriptor: | GLYCEROL, Thymidine kinase, ZINC ION | | Authors: | Lam, R, Johns, K, Battaile, K.P, Romanov, V, Lam, K, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2008-08-05 | | Release date: | 2009-08-11 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of Thymidine Kinase from S. aureus
To be Published
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2V0I
 | | Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU) | | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y. | | Deposit date: | 2007-05-14 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
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4O6L
 | | Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) | | Descriptor: | Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | | Deposit date: | 2013-12-22 | | Release date: | 2014-12-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of TTK kinase domain with an inhibitor: 401498
TO BE PUBLISHED
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