4N4S
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![BU of 4n4s by Molmil](/molmil-images/mine/4n4s) | A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor | 分子名称: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1 | 著者 | Hari, S.B, Maly, D.J, Merritt, E.A. | 登録日 | 2013-10-08 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases. Chem.Biol., 21, 2014
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6KLL
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![BU of 6kll by Molmil](/molmil-images/mine/6kll) | F-actin of cardiac thin filament in low-calcium state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Oda, T, Yanagisawa, H, Wakabayashi, T. | 登録日 | 2019-07-30 | 公開日 | 2020-01-15 | 最終更新日 | 2020-03-11 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin. J.Struct.Biol., 209, 2020
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7TY1
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![BU of 7ty1 by Molmil](/molmil-images/mine/7ty1) | Crystal structure of apo eosinophil cationic protein (ribonuclease 3) from Macaca fascicularis (MfECP) | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, Eosinophil cationic protein, ... | 著者 | Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N. | 登録日 | 2022-02-11 | 公開日 | 2023-08-16 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases. J.Biol.Chem., 300, 2024
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5U6T
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![BU of 5u6t by Molmil](/molmil-images/mine/5u6t) | The crystal structure of 4-ethoxybenzoate-bound CYP199A4 | 分子名称: | 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Coleman, T, Bruning, J.B, Bell, S.G. | 登録日 | 2016-12-08 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | 主引用文献 | Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
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5Z7F
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![BU of 5z7f by Molmil](/molmil-images/mine/5z7f) | |
8FMI
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![BU of 8fmi by Molmil](/molmil-images/mine/8fmi) | Crystal structure of human KRAS at 1.12 A | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | 登録日 | 2022-12-23 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Biochemistry, 62, 2023
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5UAP
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![BU of 5uap by Molmil](/molmil-images/mine/5uap) | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | 分子名称: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Shah, M.B, Halpert, J.R. | 登録日 | 2016-12-19 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
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7LQD
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![BU of 7lqd by Molmil](/molmil-images/mine/7lqd) | Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor | 分子名称: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ... | 著者 | Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2021-02-13 | 公開日 | 2022-02-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J.Med.Chem., 65, 2022
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4N8Z
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![BU of 4n8z by Molmil](/molmil-images/mine/4n8z) | In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand | 分子名称: | BENZAMIDINE, CHLORIDE ION, Lysozyme C, ... | 著者 | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | 登録日 | 2013-10-18 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes. Acta Crystallogr.,Sect.D, 70, 2014
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7CB9
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![BU of 7cb9 by Molmil](/molmil-images/mine/7cb9) | |
7LQA
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![BU of 7lqa by Molmil](/molmil-images/mine/7lqa) | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged) | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-13 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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6KR8
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![BU of 6kr8 by Molmil](/molmil-images/mine/6kr8) | |
7CCI
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5TPK
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5ZA8
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![BU of 5za8 by Molmil](/molmil-images/mine/5za8) | uPA-BB2-27F | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | 登録日 | 2018-02-06 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer. J. Med. Chem., 61, 2018
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7LPU
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![BU of 7lpu by Molmil](/molmil-images/mine/7lpu) | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 1 | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-12 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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6KUC
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![BU of 6kuc by Molmil](/molmil-images/mine/6kuc) | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2) | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | 著者 | Rathore, I, Mishra, V, Bhaumik, P. | 登録日 | 2019-08-31 | 公開日 | 2020-05-27 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021
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7LN7
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![BU of 7ln7 by Molmil](/molmil-images/mine/7ln7) | X-ray radiation damage series on Proteinase K at 277K, crystal structure, dataset 1 | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-06 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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5ZAF
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![BU of 5zaf by Molmil](/molmil-images/mine/5zaf) | uPA-BB2-28F | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | 登録日 | 2018-02-07 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer. J. Med. Chem., 61, 2018
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7UPJ
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![BU of 7upj by Molmil](/molmil-images/mine/7upj) | HIV-1 PROTEASE/U101935 COMPLEX | 分子名称: | HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | 著者 | Watenpaugh, K.D, Janakiraman, M.N. | 登録日 | 1996-12-05 | 公開日 | 1997-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones. J.Med.Chem., 40, 1997
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5ZN0
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![BU of 5zn0 by Molmil](/molmil-images/mine/5zn0) | Joint X-ray/neutron structure of protein kinase ck2 alpha subunit | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | 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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6KO6
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![BU of 6ko6 by Molmil](/molmil-images/mine/6ko6) | Crystal structure of AMPPNP bound Cka1 from C. neoformans | 分子名称: | CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Cho, H.S, Yoo, Y. | 登録日 | 2019-08-08 | 公開日 | 2019-11-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans. Sci Rep, 9, 2019
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6KOR
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![BU of 6kor by Molmil](/molmil-images/mine/6kor) | Crystal structure of the RRM domain of SYNCRIP | 分子名称: | Heterogeneous nuclear ribonucleoprotein Q | 著者 | Chen, Y, Chan, J, Chen, W, Jobichen, C. | 登録日 | 2019-08-12 | 公開日 | 2020-01-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | 主引用文献 | SYNCRIP, a new player in pri-let-7a processing. Rna, 26, 2020
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7LOQ
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![BU of 7loq by Molmil](/molmil-images/mine/7loq) | X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2 | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-10 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LPV
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![BU of 7lpv by Molmil](/molmil-images/mine/7lpv) | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-12 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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