1MZS
| CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor | Descriptor: | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION | Authors: | Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S. | Deposit date: | 2002-10-09 | Release date: | 2002-11-13 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling J.Med.Chem., 46, 2003
|
|
5DNA
| Crystal structure of Candida boidinii formate dehydrogenase | Descriptor: | FORMATE DEHYDROGENASE, SULFATE ION | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
|
|
5DN9
| Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, FDH, ... | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
|
|
6CGW
| |
6CHC
| JzTx-V toxin peptide, wild-type | Descriptor: | Beta/kappa-theraphotoxin-Cg2a | Authors: | Jordan, J.B. | Deposit date: | 2018-02-22 | Release date: | 2018-05-16 | Method: | SOLUTION NMR | Cite: | Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V. PLoS ONE, 13, 2018
|
|
6CNU
| Crystal Structure of JzTX-V | Descriptor: | BROMIDE ION, GLYCEROL, JzTx-V, ... | Authors: | Min, X, Wang, Z. | Deposit date: | 2018-03-09 | Release date: | 2019-03-06 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis. J. Med. Chem., 61, 2018
|
|
3DS6
| P38 complex with a phthalazine inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | Authors: | Herberich, B, Syed, R, Li, V, Grosfeld, D. | Deposit date: | 2008-07-11 | Release date: | 2008-10-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
|
|
3DT1
| P38 Complexed with a quinazoline inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | Deposit date: | 2008-07-14 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
|
|
9C1R
| Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13 | Descriptor: | GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | Authors: | Simpson, H, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-05-29 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy. J.Med.Chem., 67, 2024
|
|
6D4B
| Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | Authors: | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | Deposit date: | 2018-04-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
|
|
6D4C
| Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | Authors: | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | Deposit date: | 2018-04-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
|
|
8WSV
| |
8XB7
| |
4BEC
| MUTANT (K220A) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR | Authors: | Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R. | Deposit date: | 2013-03-07 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme. Plos One, 10, 2015
|
|
4BE7
| MUTANT (K220R) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R. | Deposit date: | 2013-03-06 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.744 Å) | Cite: | Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme. Plos One, 10, 2015
|
|
4BEB
| MUTANT (K220E) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR | Authors: | Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R. | Deposit date: | 2013-03-07 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme. Plos One, 10, 2015
|
|