1D4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d4p by Molmil](/molmil-images/mine/1d4p) | |
1D3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3q by Molmil](/molmil-images/mine/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
|
|
1D3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3d by Molmil](/molmil-images/mine/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
|
|
1D3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3p by Molmil](/molmil-images/mine/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
|
|
1D3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3t by Molmil](/molmil-images/mine/1d3t) | |
1DCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dcy by Molmil](/molmil-images/mine/1dcy) | |
1DB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1db4 by Molmil](/molmil-images/mine/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
|
|
1DB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1db5 by Molmil](/molmil-images/mine/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
|
|
5KEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kef by Molmil](/molmil-images/mine/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
|
|
3B6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b6y by Molmil](/molmil-images/mine/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
|
|
2IHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ihy by Molmil](/molmil-images/mine/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
|
|
3SZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sze by Molmil](/molmil-images/mine/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
|
|
4GWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gwf by Molmil](/molmil-images/mine/4gwf) | Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-03 | Release date: | 2013-09-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation TO BE PUBLISHED
|
|
4H34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h34 by Molmil](/molmil-images/mine/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
|
|
4H1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h1o by Molmil](/molmil-images/mine/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
|
|
4JXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jxf by Molmil](/molmil-images/mine/4jxf) | Crystal Structure of PLK4 Kinase with an inhibitor: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE) | Descriptor: | (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one, 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK4 | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-28 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of PLK4 Kinase with an inhibitor: 400631 To be Published
|
|
2V0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v0l by Molmil](/molmil-images/mine/2v0l) | Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU) | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 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 (2.2 Å) | Cite: | Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu). Protein Sci., 16, 2007
|
|
2V0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v0i by Molmil](/molmil-images/mine/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
|
|
2V0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v0j by Molmil](/molmil-images/mine/2v0j) | Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU) | Descriptor: | 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM 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 (2 Å) | Cite: | Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu). Protein Sci., 16, 2007
|
|
2V0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v0h by Molmil](/molmil-images/mine/2v0h) | Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU) | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | 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 (1.79 Å) | Cite: | Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu). Protein Sci., 16, 2007
|
|
2V0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v0k by Molmil](/molmil-images/mine/2v0k) | Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU) | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y. | Deposit date: | 2007-05-14 | Release date: | 2008-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu). Protein Sci., 16, 2007
|
|
1PCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pcg by Molmil](/molmil-images/mine/1pcg) | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions | Descriptor: | ESTRADIOL, estrogen receptor, peptide inhibitor | Authors: | Leduc, A.M, Trent, J.O, Wittliff, J.L, Bramlett, K.S, Briggs, S.L, Chirgadze, N.Y, Wang, Y, Burris, T.P, Spatola, A.F. | Deposit date: | 2003-05-16 | Release date: | 2003-10-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
4ZEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zeg by Molmil](/molmil-images/mine/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
|
|
4JT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jt3 by Molmil](/molmil-images/mine/4jt3) | Crystal Structure of TTK kinase domain with an inhibitor: 400740 | Descriptor: | 1,2-ETHANEDIOL, 2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Harris-Brandts, M, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of TTK kinase domain with an inhibitor: 400740 To be Published
|
|
4JS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4js8 by Molmil](/molmil-images/mine/4js8) | Crystal structure of TTK kinase domain with an inhibitor: 401348 | Descriptor: | 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Plotnikov, A.N, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of TTK kinase domain with an inhibitor: 401348 To be Published
|
|