8ELC
| Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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8GI3
| Crystal structure of RhoA mutant L69P complexed with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | Authors: | Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J. | Deposit date: | 2023-03-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Ras-like GTPases mutants structure To be published
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4QJ2
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5D40
| Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE | Descriptor: | CHLORIDE ION, GLYCEROL, P450-like protein, ... | Authors: | Cahn, J.K.B, Dodani, S.C, Arnold, F.H. | Deposit date: | 2015-08-06 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models. Nat.Chem., 8, 2016
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4ZFX
| Siderocalin-mediated recognition and cellular uptake of actinides | Descriptor: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, SULFATE ION, ... | Authors: | Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QJA
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5YAM
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6QY7
| Human CSNK2A1 bound to ERB-041 | Descriptor: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M. | Deposit date: | 2019-03-08 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CSNK2A1 bound to ERB-041 To Be Published
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4ZP5
| MAP4K4 in complex with inhibitor | Descriptor: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-05-07 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of MAP4K4 complex To Be Published
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5YOZ
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4ZIX
| Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. | Deposit date: | 2015-04-28 | Release date: | 2015-08-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase IUCrJ, 2, 2015
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6QQ7
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5YUL
| Native Structure of hSOD1 in P6322 space group | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2017-11-22 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation FEBS Lett., 592, 2018
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4QMS
| MST3 in complex with DASATINIB | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ... | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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8EKO
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5YV5
| Crystal structure of the complex of archaeal ribosomal stalk protein aP1 and archaeal ribosome recycling factor aABCE1. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase RIL, Archaeal ribosomal stalk protein aP1, ... | Authors: | Imai, H, Abe, T, Miyoshi, T, Nishikawa, S, Ito, K, Uchiumi, T. | Deposit date: | 2017-11-24 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The ribosomal stalk protein is crucial for the action of the conserved ATPase ABCE1 Nucleic Acids Res., 46, 2018
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6QQC
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6BO2
| Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL | Descriptor: | CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2017-11-17 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct. Chem. Commun. (Camb.), 54, 2018
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6QQG
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6C94
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7UQU
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5D8J
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8G1V
| Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2 | Descriptor: | CHLORIDE ION, GLYCEROL, N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-07-10 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase, and hepsin. Protein Sci., 33, 2024
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4QO9
| MST3 IN COMPLEX WITH Danusertib | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-19 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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6BOF
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