1FTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fth by Molmil](/molmil-images/mine/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
|
|
1FTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ftf by Molmil](/molmil-images/mine/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
|
|
1D4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d4p by Molmil](/molmil-images/mine/1d4p) | |
1FTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fte by Molmil](/molmil-images/mine/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
|
|
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
|
|
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
|
|
1DCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dcy by Molmil](/molmil-images/mine/1dcy) | |
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) | |
7KEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7key by Molmil](/molmil-images/mine/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
|
|
7KLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7klx by Molmil](/molmil-images/mine/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
|
|
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
|
|
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
|
|
3I0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i0u by Molmil](/molmil-images/mine/3i0u) | Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphothreonine lyase ospF | Authors: | Singer, A.U, Skarina, T, Nocek, B, Gordon, R, Lam, R, Kagan, O, Edwards, A.M, Joachimiak, A, Chirgadze, N.Y, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-06-25 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri TO BE PUBLISHED
|
|
3K29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k29 by Molmil](/molmil-images/mine/3k29) | Structure of a putative YscO homolog CT670 from Chlamydia trachomatis | Descriptor: | Putative uncharacterized protein | Authors: | Lam, R, Singer, A, Skarina, T, Onopriyenko, O, Bochkarev, A, Brunzelle, J.S, Edwards, A.M, Anderson, W.F, Chirgadze, N.Y, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-29 | Release date: | 2009-10-13 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and protein-protein interaction studies on Chlamydia trachomatis protein CT670 (YscO Homolog). J.Bacteriol., 192, 2010
|
|
4TJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tjw by Molmil](/molmil-images/mine/4tjw) | Crystal Structure of human Tankyrase 2 in complex with PJ-34. | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|
3NTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ntv by Molmil](/molmil-images/mine/3ntv) | Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus | Descriptor: | MW1564 protein, SULFATE ION | Authors: | Qiu, W, Lam, R, Romanov, V, Jones, K, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-07-05 | Release date: | 2011-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus TO BE PUBLISHED
|
|
3NUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nur by Molmil](/molmil-images/mine/3nur) | Crystal structure of a putative amidohydrolase from Staphylococcus aureus | Descriptor: | Amidohydrolase, CALCIUM ION | Authors: | Qiu, W, Lam, R, Romanov, V, Lam, K, Soloveychik, M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-07-07 | Release date: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative amidohydrolase from Staphylococcus aureus To be Published
|
|
4TKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkg by Molmil](/molmil-images/mine/4tkg) | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4TK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tk5 by Molmil](/molmil-images/mine/4tk5) | Crystal Structure of human Tankyrase 2 in complex with EB47. | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4TJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tjy by Molmil](/molmil-images/mine/4tjy) | Crystal Structure of human Tankyrase 2 in complex with ABT-888. | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4TKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tki by Molmil](/molmil-images/mine/4tki) | Crystal Structure of human Tankyrase 2 in complex with BSI-201. | Descriptor: | 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4TJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tju by Molmil](/molmil-images/mine/4tju) | Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C. | Descriptor: | 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
|
|