6K5Q
| Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia | 分子名称: | ACETATE ION, GLYCEROL, Lysozyme C, ... | 著者 | Kanal Elamparithi, B, Ankur, T, Sivakumar, M, Gunasekaran, K. | 登録日 | 2019-05-30 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.177 Å) | 主引用文献 | Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia To Be Published
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7D5B
| BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ... | 著者 | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | 登録日 | 2020-09-25 | 公開日 | 2021-03-31 | 最終更新日 | 2021-04-07 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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6EM6
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5UZM
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8GI6
| Crystal structure of RhoA mutant L69R complexed with GDP | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | 著者 | Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J. | 登録日 | 2023-03-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ras-like GTPases mutant structures To be published
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8GI3
| Crystal structure of RhoA mutant L69P complexed with GDP | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | 著者 | Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J. | 登録日 | 2023-03-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Ras-like GTPases mutants structure To be published
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5V0N
| BACE1 in complex with inhibitor 5g | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | 著者 | Mesecar, A, Ghosh, A, Yen, Y.-C. | 登録日 | 2017-02-28 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.155 Å) | 主引用文献 | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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6K9S
| Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | 分子名称: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ... | 著者 | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | 登録日 | 2019-06-17 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6EM2
| Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Mueller, J.M, Heine, A, Klebe, G. | 登録日 | 2017-10-01 | 公開日 | 2018-10-10 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | 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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6EMA
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5UZJ
| Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | 分子名称: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | 著者 | Jacobs, M.D. | 登録日 | 2017-02-26 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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5ZN2
| X-ray structure of protein kinase ck2 alpha subunit H148A mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5WXQ
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5WY9
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6KHD
| Crystal structure of CLK1 in complex with CX-4945 | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK1 | 著者 | Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H. | 登録日 | 2019-07-15 | 公開日 | 2019-10-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945. Biomed Res Int, 2019, 2019
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7SN6
| U2AF65 UHM BOUND TO SF3B155 ULM5 | 分子名称: | ISOPROPYL ALCOHOL, Splicing factor 3B subunit 1, Splicing factor U2AF 65 kDa subunit | 著者 | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2021-10-27 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A UHM-ULM interface with unusual structural features contributes to U2AF2 and SF3B1 association for pre-mRNA splicing. J.Biol.Chem., 298, 2022
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5WDP
| H-Ras mutant L120A bound to GMP-PNP at 277K | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | 登録日 | 2017-07-05 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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5WDY
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4Q03
| Second-site screening of K-Ras in the presence of covalently attached first-site ligands | 分子名称: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | 登録日 | 2014-03-31 | 公開日 | 2014-09-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | 主引用文献 | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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5ZAU
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4Q1N
| Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | 分子名称: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | 登録日 | 2014-04-04 | 公開日 | 2014-08-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
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5WC2
| Crystal Structure of ADP-bound human TRIP13 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | 著者 | Jeong, B.-C, Luo, X. | 登録日 | 2017-06-29 | 公開日 | 2018-04-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing. Nat Commun, 8, 2017
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6KGA
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6BDN
| Crystal structure of human TAO3 kinase binding ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Aleshin, A.E, Bankton, L.A, Pinkerton, A, Courtneidge, S.A, Liddington, R.C. | 登録日 | 2017-10-23 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of human TAO3 kinase binding ADP To Be Published
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4Q1Y
| Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ... | 著者 | Ragland, D.A, Nalam, M.N.L, Cao, H, Nalivaika, E.A, Cai, Y, Kurt-Yilmaz, N, Schiffer, C.A. | 登録日 | 2014-04-04 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease. J.Am.Chem.Soc., 136, 2014
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