PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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4Y44	Endothiapepsin in complex with fragment 164 分子名称: 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile, ACETATE ION, Endothiapepsin, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5SY3	Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. 登録日 2016-08-10 公開日 2016-11-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
6RCH	Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor 分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ... 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-04-11 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor To Be Published
4Y50	Endothiapepsin in complex with fragment 81 分子名称: 1,2-ETHANEDIOL, 3-(dimethylamino)benzohydrazide, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6ETR	Atomic resolution structure of RNase A (data collection 8) 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic 著者 Caterino, M, Vergara, A, Merlino, A. 登録日 2017-10-27 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Raman-markers of X-ray radiation damage of proteins. Int. J. Biol. Macromol., 111, 2018
5T0U	CTCF ZnF2-7 and DNA complex structure 分子名称: DNA (5'-D(*CP*CP*TP*CP*AP*CP*TP*AP*GP*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*CP*TP*AP*GP*TP*GP*AP*GP*G)-3'), Transcriptional repressor CTCF, ... 著者 Hashimoto, H, Wang, D, Cheng, X. 登録日 2016-08-16 公開日 2017-05-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.199 Å) 主引用文献 Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA. Mol. Cell, 66, 2017
6F1P	Tetragonal Lysozyme crystallized at 298 K and pH 4.5 with phosphate bound 分子名称: CHLORIDE ION, Lysozyme C, PHOSPHATE ION, ... 著者 Camara-Artigas, A. 登録日 2017-11-22 公開日 2018-05-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol, 74, 2018
7RAT	EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K 分子名称: RIBONUCLEASE A 著者 Tiltonjunior, R.F, Dewan, J.C, Petsko, G.A, Gilbert, W. 登録日 1991-08-13 公開日 1993-07-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K. Biochemistry, 31, 1992
5T3F	hen egg-white lysozyme soaked with selenourea for 10 min 分子名称: Lysozyme C, selenourea 著者 Luo, Z, Dauter, Z. 登録日 2016-08-25 公開日 2016-11-30 最終更新日 2019-12-04 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures. Sci Rep, 6, 2016
7RYA	S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
4Y8W	Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex 分子名称: Cytochrome P450 21-hydroxylase, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Pallan, P.S, Lei, L, Egli, M. 登録日 2015-02-16 公開日 2015-04-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYMEPROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE. J.Biol.Chem., 290, 2015
5T9P	Structural analysis reveals the flexible C-terminus of Nop15 undergoes rearrangement to recognize a pre-ribosomal RNA folding intermediate 分子名称: CHLORIDE ION, Ribosome biogenesis protein 15, SULFATE ION 著者 Zhang, J, Gonzalez, E.L, Hall, M.T.T. 登録日 2016-09-09 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural analysis reveals the flexible C-terminus of Nop15 undergoes rearrangement to recognize a pre-ribosomal RNA folding intermediate. Nucleic Acids Res., 45, 2017
6EWN	HspA from Thermosynechococcus vulcanus in the presence of 2M urea with initial stages of denaturation 分子名称: HspA, UREA 著者 Adir, N, Ghosh, S, Salama, F, Dines, M. 登録日 2017-11-06 公開日 2018-10-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Biophysical and structural characterization of the small heat shock protein HspA from Thermosynechococcus vulcanus in 2 M urea. Biochim Biophys Acta Proteins Proteom, 1867, 2019
7RY9	S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
7RY8	S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
4Y3R	Endothiapepsin in complex with fragment 306 分子名称: 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6ETC	Crystal Structure of Human gamma-D-crystallin Mutant P23T+R36S at 1.2 Angstroms Resolution 分子名称: Gamma-crystallin D 著者 Khan, A.R, McManus, J. 登録日 2017-10-26 公開日 2018-11-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.197 Å) 主引用文献 Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a gamma D-Crystallin Mutant. Biophys.J., 117, 2019
7RYB	S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
6F0B	Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation 分子名称: (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fulop, V. 登録日 2017-11-17 公開日 2018-12-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC. J.Am.Chem.Soc., 141, 2019
7RYX	S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-26 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
4YDG	Crystal structure of compound 10 in complex with HTLV-1 Protease 分子名称: HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION 著者 Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. 登録日 2015-02-22 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
4YBP	Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal after 24 hour incubation at 1.83 angstrom resolution - thermodynamic product - 1st cycle 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2015-02-19 公開日 2016-02-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.831 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
4YE3	Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A 分子名称: (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... 著者 Agniswamy, J, Weber, I.T. 登録日 2015-02-23 公開日 2015-06-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. J.Med.Chem., 58, 2015
6RA7	Human tnik in complex with compound 9 分子名称: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ... 著者 Read, J.A. 登録日 2019-04-05 公開日 2019-11-06 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
4YEP	L4b Domain of Human Laminin alpha-2 分子名称: 1,2-ETHANEDIOL, Laminin subunit alpha-2 著者 Toot, M, Gat, Y, Fass, D. 登録日 2015-02-24 公開日 2015-05-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Laminin L4 domain structure resembles adhesion modules in ephrin receptor and other transmembrane glycoproteins. Febs J., 282, 2015

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