7XGO
 
 | | Human renin in complex with compound2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | 著者 | Kashima, A. | | 登録日 | 2022-04-05 | | 公開日 | 2022-08-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGK
 | | Human renin in complex with compound1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | 著者 | Kashima, A. | | 登録日 | 2022-04-05 | | 公開日 | 2022-08-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGP
 | | Human renin in complex with compound3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | 著者 | Kashima, A. | | 登録日 | 2022-04-05 | | 公開日 | 2022-09-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.
J.Med.Chem., 65, 2022
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5VJ9
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5TQV
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5TP9
 | | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | | 分子名称: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-10-20 | | 公開日 | 2016-11-30 | | 最終更新日 | 2017-02-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
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5TPG
 | | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | | 分子名称: | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ... | | 著者 | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | 登録日 | 2016-10-20 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5TT5
 | | Escherichia coli LigA (K115M) in complex with NAD+ | | 分子名称: | DNA ligase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Goldgur, Y, Unciuleac, M.-C, Shuman, S.H. | | 登録日 | 2016-11-01 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | | 主引用文献 | Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7X8T
 | | Frizzled 10 CRD in complex with hB9L9.3 Fab | | 分子名称: | Antibody hB9L9.3 Fab, Heavy chain, Light chain, ... | | 著者 | Ge, Q, Wang, Q. | | 登録日 | 2022-03-14 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | An epitope-directed selection strategy facilitating the identification of Frizzled receptor selective antibodies.
Structure, 31, 2023
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7L6V
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5VL4
 | | Accidental minimum contact crystal lattice formed by a redesigned protein oligomer | | 分子名称: | T33-53H-B | | 著者 | Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T. | | 登録日 | 2017-04-24 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | | 主引用文献 | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
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7KVV
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7KVT
 | | Crystal structure of Squash RNA aptamer in complex with DFHBI-1T with iridium (III) ions | | 分子名称: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | | 著者 | Truong, L, Ferre-D'Amare, A.R. | | 登録日 | 2020-11-28 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
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5VD8
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue | | 分子名称: | 1,2-ETHANEDIOL, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis of Wee family kinase inhibition by small molecules
to be published
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7KVU
 | | Crystal structure of Squash RNA aptamer in complex with DFHBI-1T | | 分子名称: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Truong, L, Ferre-D'Amare, A.R. | | 登録日 | 2020-11-28 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
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5VD4
 | | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue | | 分子名称: | 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structural basis of Wee family kinase inhibition by small molecules
to be published
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7XJC
 | | Crystal structure of bacteriorhodopsin in the ground and K states after green laser irradiation | | 分子名称: | 2,10,23-TRIMETHYL-TETRACOSANE, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ... | | 著者 | Taguchi, S, Niwa, S, Takeda, K. | | 登録日 | 2022-04-16 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Detailed analysis of distorted retinal and its interaction with surrounding residues in the K intermediate of bacteriorhodopsin
Commun Biol, 6, 2023
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5VQF
 | | Crystal Structure of pro-TGF-beta 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | | 登録日 | 2017-05-08 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
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5VD2
 | | crystal structure of human WEE1 kinase domain in complex with PF-03814735 | | 分子名称: | CHLORIDE ION, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, PHOSPHATE ION, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5VC6
 | | crystal structure of human WEE1 kinase domain in complex with PHA-848125 | | 分子名称: | 1,2-ETHANEDIOL, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, Wee1-like protein kinase | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-03-31 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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7UR6
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7UJ3
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7UVG
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7UOJ
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7LSB
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