5YF9
| Crystal structure of CK2a2 form-2 | 分子名称: | Casein kinase II subunit alpha', NICOTINIC ACID, SULFATE ION | 著者 | Tsuyuguchi, M, Kinoshita, T. | 登録日 | 2017-09-20 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structures of human CK2 alpha 2 in new crystal forms arising from a subtle difference in salt concentration Acta Crystallogr F Struct Biol Commun, 74, 2018
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6QI6
| Trigonal form of WT recombinant bovine beta-lactoglobulin | 分子名称: | 1,2-ETHANEDIOL, Beta-lactoglobulin, ETHANOL | 著者 | Loch, J.I, Krawczyk, A, Lewinski, K. | 登録日 | 2019-01-17 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin. J.Struct.Biol., 210, 2020
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5YJ9
| Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ... | 著者 | Okatsu, K, Sato, Y, Fukai, S. | 登録日 | 2017-10-09 | 公開日 | 2018-07-25 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural insights into ubiquitin phosphorylation by PINK1. Sci Rep, 8, 2018
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6Q88
| RT structure of HEWL at 5 kGy | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | 著者 | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | 登録日 | 2018-12-14 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74007058 Å) | 主引用文献 | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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5YJM
| Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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6Q8K
| CLK1 with bound pyridoquinazoline | 分子名称: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine | 著者 | Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-14 | 公開日 | 2019-02-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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5YKW
| Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems | 分子名称: | Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL | 著者 | Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R. | 登録日 | 2017-10-16 | 公開日 | 2018-10-24 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems to be published
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5YID
| Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2017-10-04 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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6QAL
| ERK2 mini-fragment binding | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6YL1
| Cdk2(F80C) with Covalent Adduct TK37 at F80C | 分子名称: | Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2020-04-06 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6QAS
| Crystal structure of ULK1 in complexed with PF-03814735 | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, GLYCEROL, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6QAW
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAQ
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAU
| Crystal structure of ULK2 in complexed with MRT67307 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6YQJ
| Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked) | 分子名称: | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | 登録日 | 2020-04-17 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YOE
| Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | 分子名称: | 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ... | 著者 | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | 登録日 | 2020-04-14 | 公開日 | 2020-11-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography. Iucrj, 7, 2020
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5YLW
| CYP76AH1 from Salvia miltiorrhiza | 分子名称: | Ferruginol synthase, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Chang, Z. | 登録日 | 2017-10-20 | 公開日 | 2018-10-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | CYP76AH1 from Salvia miltiorrhiza To Be Published
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6Y8K
| Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | 登録日 | 2020-03-05 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist. J Immunother Cancer, 9, 2021
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5YQH
| The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid | 分子名称: | 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ... | 著者 | Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. | 登録日 | 2017-11-06 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
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6YBI
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5YTO
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6Y4V
| Crystal structure of p38 in complex with SR68 | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-23 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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5YMX
| Myxococcus xanthus MglA in GDP bound conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Baranwal, J, Gayathri, P. | 登録日 | 2017-10-22 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility. Plos Biol., 17, 2019
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5YOK
| Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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6X4X
| B24Y DKP insulin | 分子名称: | Insulin, Insulin chain A | 著者 | Weiss, M.A, Yang, Y. | 登録日 | 2020-05-24 | 公開日 | 2020-08-05 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Evolution of insulin at the edge of foldability and its medical implications. Proc.Natl.Acad.Sci.USA, 117, 2020
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