PDB: 37273 件ウェブページステータス検索Chemie searchBIRD

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8D7Q	Crystal structure of hen egg white lysozyme at 250 Kelvin (Triplicate) 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 Ribeiro, F.S, Lima, L.M.T.R. 登録日 2022-06-07 公開日 2023-05-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Linking B-factor and temperature-induced conformational transition. Biophys.Chem., 298, 2023
8D8A	Crystal structure of hen egg white lysozyme at 275 Kelvin (Duplicate) 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 Ribeiro, F.S, Lima, L.M.T.R. 登録日 2022-06-08 公開日 2023-05-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Linking B-factor and temperature-induced conformational transition. Biophys.Chem., 298, 2023
7U36	Crystal structure of human GSK3B in complex with ARN1484 分子名称: (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta 著者 Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. 登録日 2022-02-25 公開日 2022-04-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
8TWU	Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro 分子名称: (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M. 登録日 2023-08-21 公開日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization. J.Am.Chem.Soc., 145, 2023
5CHQ	Dehaloperoxidase B in complex with substrate p-nitrophenol 分子名称: Dehaloperoxidase B, GLYCEROL, P-NITROPHENOL, ... 著者 Carey, L, Ghiladi, R. 登録日 2015-07-10 公開日 2016-04-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata. Biochemistry, 55, 2016
6S2M	Perdeuterated human myelin protein P2 at 0.72-A resolution 分子名称: Myelin P2 protein, PALMITIC ACID, VACCENIC ACID 著者 Laulumaa, S, Kursula, P. 登録日 2019-06-21 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.72 Å) 主引用文献 Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites. Molecules, 24, 2019
5CHR	Dehaloperoxidase B in complex with substrate p-nitrocatechol 分子名称: 4-NITROCATECHOL, Dehaloperoxidase B, GLYCEROL, ... 著者 Carey, L, Ghiladi, R. 登録日 2015-07-10 公開日 2016-04-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata. Biochemistry, 55, 2016
4Q7M	Structure of NBD288-Avi of TM287/288 分子名称: Uncharacterized ABC transporter ATP-binding protein TM_0288 著者 Bukowska, M.A, Hohl, M, Gruetter, M.G, Seeger, M.A. 登録日 2014-04-25 公開日 2015-05-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A Transporter Motor Taken Apart: Flexibility in the Nucleotide Binding Domains of a Heterodimeric ABC Exporter. Biochemistry, 54, 2015
8U2O	Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995 分子名称: CHLORIDE ION, GLYCEROL, N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-09-06 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995 To be published
6RUH	Ni-substituted alpha-Keggin bound to Proteinase K solved by MR 分子名称: Ni-substituted alpha-Keggin, Proteinase K, SULFATE ION 著者 Breibeck, J, Bijelic, A, Rompel, A. 登録日 2019-05-28 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization. Chem.Commun.(Camb.), 55, 2019
6BCZ	Crystal structure of human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate 著者 Sevrioukova, I. 登録日 2017-10-20 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
7U2Z	Crystal structure of human GSK3B in complex with G12 分子名称: (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta 著者 Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. 登録日 2022-02-25 公開日 2022-04-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
7U31	Crystal structure of human GSK3B in complex with G5 分子名称: 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta 著者 Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. 登録日 2022-02-25 公開日 2022-04-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
5YSW	Crystal Structure Analysis of Rif16 in complex with R-L 分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. 登録日 2017-11-15 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
6BA5	Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1 分子名称: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain Heavy chain, antibody R11, ... 著者 Park, H, Rader, C. 登録日 2017-10-12 公開日 2018-06-13 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5CJ2	Ran GDP Y39A mutant triclinic crystal form 分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Vetter, I.R, Brucker, S. 登録日 2015-07-13 公開日 2015-09-09 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
6BD6	Crystal structure of human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate 著者 Sevrioukova, I. 登録日 2017-10-21 公開日 2017-12-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
6BDI	Crystal structure of human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2017-10-23 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
4Y39	Endothiapepsin in complex with fragment 75 分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
7U2T	Influenza Neuraminidase N1-MI15-sNAp-174 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-MI15-sNAp-174 著者 Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2022-02-24 公開日 2022-04-20 実験手法 ELECTRON MICROSCOPY (3.25 Å) 主引用文献 Structure-based design of stabilized recombinant influenza neuraminidase tetramers. Nat Commun, 13, 2022
6S73	Crystal structure of Nek7 SRS mutant bound to compound 51 分子名称: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 著者 Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R. 登録日 2019-07-04 公開日 2020-06-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
8D5X	Crystal structure of hen egg white lysozyme at 125 Kelvin (Duplicate) 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 Ribeiro, F.S, Lima, L.M.T.R. 登録日 2022-06-06 公開日 2023-05-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Linking B-factor and temperature-induced conformational transition. Biophys.Chem., 298, 2023
8D7A	Crystal structure of hen egg white lysozyme at 200 Kelvin (Triplicate) 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 Ribeiro, F.S, Lima, L.M.T.R. 登録日 2022-06-07 公開日 2023-05-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Linking B-factor and temperature-induced conformational transition. Biophys.Chem., 298, 2023
4PZW	Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors 分子名称: (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A. 登録日 2014-03-31 公開日 2014-05-14 最終更新日 2014-10-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4Y36	Endothiapepsin in complex with fragment 4 分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, 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 (1.59 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published

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