8VF0
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8VFR
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8VKF
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6XVO
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6XVS
| Human myelin protein P2 mutant P38G, unliganded | Descriptor: | GLYCEROL, Myelin P2 protein | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | Deposit date: | 2020-01-22 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
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5XC5
| Crystal structure of Acanthamoeba polyphaga mimivirus Rab GTPase in complex with GTP | Descriptor: | ACETATE ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ku, B, You, J.A, Kim, S.J. | Deposit date: | 2017-03-22 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Crystal structures of two forms of the Acanthamoeba polyphaga mimivirus Rab GTPase Arch. Virol., 162, 2017
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8JG8
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8UCT
| Crystal structure of TcPINK1 in complex with PRT | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, SULFATE ION, ... | Authors: | Veyron, S, Rasool, S, Trempe, J.F. | Deposit date: | 2023-09-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Characterization of a new family of PINK1 inhibitors To Be Published
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6L7K
| solution structure of hIFABP V60C/Y70C variant. | Descriptor: | Fatty acid-binding protein, intestinal | Authors: | Fan, J, Yang, D. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening. Biophys.J., 118, 2020
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8DL4
| S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR | Descriptor: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | Authors: | Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2022-07-06 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR To Be Published
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6XX6
| Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form I | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha-1, PIVALIC ACID, ... | Authors: | Demulder, M, De Veylder, L, Loris, R. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84919691 Å) | Cite: | Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1. Acta Crystallogr.,Sect.F, 76, 2020
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6XX8
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5XHU
| Crystal structure of ycgT from bacillus subtilis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase | Authors: | Komori, H. | Deposit date: | 2017-04-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of ycgT from bacillus subtilis To Be Published
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8DNK
| Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6 | Descriptor: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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8V8Z
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6XYK
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6XYG
| Femtosecond structure of bovine trypsin at room temperature | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Jensen, M. | Deposit date: | 2020-01-30 | Release date: | 2021-02-10 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.50000238 Å) | Cite: | High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection J.Synchrotron Radiat., 2021
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8VF6
| Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211 | Descriptor: | Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | Authors: | Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M. | Deposit date: | 2023-12-21 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Reversible male contraception by targeted inhibition of serine/threonine kinase 33. Science, 384, 2024
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8DNI
| Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1 | Descriptor: | (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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5XKV
| structure of sperm whale myoglobin F138W | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yuan, H. | Deposit date: | 2017-05-09 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center Dalton Trans, 46, 2017
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8DNJ
| Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | Descriptor: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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5XL0
| met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | Deposit date: | 2017-05-10 | Release date: | 2017-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor Biochemistry, 56, 2017
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6LOG
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8E83
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6I2B
| Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117 | Descriptor: | UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2018-11-01 | Release date: | 2019-05-15 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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