3P52
 
 | | NH3-dependent NAD synthetase from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with the nitrate ion | | 分子名称: | NH(3)-dependent NAD(+) synthetase, NITRATE ION | | 著者 | Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Skarina, T, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-10-07 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | NH3-dependent NAD synthetase from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with the nitrate ion
To be Published
|
|
7FAL
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro | | 分子名称: | 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | | 著者 | Malhotra, N, Mishra, S, Yogavel, M, Sharma, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.219 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
3P5U
 | | Actinidin from Actinidia arguta planch (Sarusashi) | | 分子名称: | Actinidin, CADMIUM ION | | 著者 | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | | 登録日 | 2010-10-11 | | 公開日 | 2010-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
|
|
3CE0
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34 | | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3 | | 著者 | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | 登録日 | 2008-02-27 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
|
|
5CQ3
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 6-hydroxypyridine-2-carboxylic acid, Bromodomain adjacent to zinc finger domain protein 2B, ... | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.925 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening)
To be published
|
|
4QT1
 | |
8OSV
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2023-04-20 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
|
|
6GE2
 | | exendin-4 based dual GLP-1/glucagon receptor agonist | | 分子名称: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | | 著者 | Evers, A, Kurz, M. | | 登録日 | 2018-04-25 | | 公開日 | 2018-06-20 | | 最終更新日 | 2019-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
J. Med. Chem., 61, 2018
|
|
8ARF
 | |
1K7X
 | | CRYSTAL STRUCTURE OF THE BETA-SER178PRO MUTANT OF TRYPTOPHAN SYNTHASE | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | | 著者 | Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A. | | 登録日 | 2001-10-22 | | 公開日 | 2002-06-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the beta Ser178--> Pro mutant of tryptophan synthase. A "knock-out" allosteric enzyme.
J.Biol.Chem., 277, 2002
|
|
5CS3
 | | The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS | | 分子名称: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor | | 著者 | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | 登録日 | 2015-07-23 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
|
|
6ZSA
 | | Human mitochondrial ribosome bound to mRNA, A-site tRNA and P-site tRNA | | 分子名称: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | | 著者 | Aibara, S, Singh, V, Modelska, A, Amunts, A. | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural basis of mitochondrial translation.
Elife, 9, 2020
|
|
5CUD
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-9H-purine, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening)
To be published
|
|
7F9A
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 | | 分子名称: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
7F98
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | | 分子名称: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Malhotra, N, Manickam, Y, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
7F9D
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | | 分子名称: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
5CWV
 | | Crystal structure of Chaetomium thermophilum Nup192 TAIL domain | | 分子名称: | Nucleoporin NUP192 | | 著者 | Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A. | | 登録日 | 2015-07-28 | | 公開日 | 2015-09-16 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (3.155 Å) | | 主引用文献 | Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
|
|
7F9B
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | | 分子名称: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
8OT2
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2023-04-20 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
|
|
7F9C
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | | 分子名称: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | | 著者 | Malhotra, N, Manickam, Y, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.196 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
3P17
 | | Thrombin Inhibition by Pyridin Derivatives | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2010-09-30 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
J.Mol.Biol., 418, 2012
|
|
7F99
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | | 分子名称: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
5KE0
 | | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | | 分子名称: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Lim, J. | | 登録日 | 2016-06-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
|
|
7FAN
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T35 and L-pro | | 分子名称: | 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | | 著者 | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
7FAM
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro | | 分子名称: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | | 著者 | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
|
|
