PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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5HDV	BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium 分子名称: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P. 登録日 2016-01-05 公開日 2016-03-16 最終更新日 2016-04-27 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
7AZ9	Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE 分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase 著者 Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. 登録日 2020-11-16 公開日 2021-07-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION 主引用文献 Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
7AZ3	Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID 分子名称: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase 著者 Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. 登録日 2020-11-16 公開日 2021-07-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION 主引用文献 Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
7AZA	Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE 分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase 著者 Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. 登録日 2020-11-16 公開日 2021-07-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION 主引用文献 Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
6TJS	GSTF1 from Alopecurus myosuroides 分子名称: Glutathione transferase 著者 Pohl, E, Eno, R.F.M, Freitag-Pohl, S. 登録日 2019-11-26 公開日 2021-05-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 GSTF1 from Alopecurus myosuroides To Be Published
5A4M	Mechanism of Hydrogen activation by NiFe-hydrogenases 分子名称: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... 著者 Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. 登録日 2015-06-10 公開日 2015-11-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
7AZ4	Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID 分子名称: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase 著者 Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. 登録日 2020-11-16 公開日 2021-07-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION 主引用文献 Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
5A6N	Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 分子名称: 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... 著者 Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. 登録日 2015-06-30 公開日 2015-10-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 De Novo Fragment Design for Drug Discovery and Chemical Biology. Angew.Chem.Int.Ed.Engl., 54, 2015
6HSZ	Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2 分子名称: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ... 著者 Marek, M, Shaik, T.B, Romier, C. 登録日 2018-10-02 公開日 2018-10-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.374 Å) 主引用文献 Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
5NYX	human Fab fragment 5H2 against NHBA from Neisseria meningitidis 分子名称: GLYCEROL, HEAVY CHAIN, LIGHT CHAIN, ... 著者 Malito, E, Maritan, M. 登録日 2017-05-12 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Structures of NHBA elucidate a broadly conserved epitope identified by a vaccine induced antibody. PLoS ONE, 13, 2018
7AOS	crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator 分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... 著者 le Maire, A, Guee, L, Bourguet, W. 登録日 2020-10-15 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
5FK4	SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is UU 分子名称: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH 著者 Huang, L, Lilley, D.M.J. 登録日 2015-10-14 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function. Nucleic Acids Res., 44, 2016
6TKF	ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2 分子名称: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S 著者 Orr, C.M, Fisher, H, Tews, I. 登録日 2019-11-28 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
6TO3	GSTF1 from Alopecurus myosuroides - covalently modified 分子名称: 4-chloro-7-nitrobenzofurazan, Glutathione transferase 著者 Pohl, E, Eno, R.F.M, Freitag-Pohl, S. 登録日 2019-12-11 公開日 2021-08-18 最終更新日 2022-08-31 実験手法 X-RAY DIFFRACTION (2.798 Å) 主引用文献 Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance. Org.Biomol.Chem., 19, 2021
6HTI	Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ... 著者 Shaik, T.B, Marek, M, Romier, C. 登録日 2018-10-04 公開日 2018-10-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.693 Å) 主引用文献 Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
5O81	Crystal Structure of R67A/E173A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum 分子名称: Intracellular exo-alpha-(1->5)-L-arabinofuranosidase 著者 Lafite, P, Daniellou, R. 登録日 2017-06-12 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 To be announced To Be Published
5FBN	BTK kinase domain with inhibitor 1 分子名称: 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... 著者 Raaijmakers, H.C.A, Vu-Pham, D. 登録日 2015-12-14 公開日 2016-02-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
7B5U	RCK_C domain dimer of S.agalactiae BusR in complex with c-di-AMP 分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GntR family transcriptional regulator 著者 Bandera, A.M, Witte, G. 登録日 2020-12-07 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture. Nucleic Acids Res., 49, 2021
5G0A	The crystal structure of a S-selective transaminase from Bacillus megaterium 分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PYRIDOXAL-5'-PHOSPHATE, ... 著者 van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. 登録日 2016-03-17 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry, 55, 2016
5FK3	SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is CC 分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ... 著者 Huang, L, Lilley, D.M.J. 登録日 2015-10-14 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function. Nucleic Acids Res., 44, 2016
5FNE	CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII TRIPLE MUTANT E37K, H39R & G330R 分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Medrano, F.J, Romero, A. 登録日 2015-11-13 公開日 2016-07-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 Unveiling the Basis of Alkaline Stability of an Evolved Versatile Peroxidase. Biochem.J., 473, 2016
6U0E	Neutron crystal structure of T4L M6AE 分子名称: Endolysin 著者 Cuneo, M.J, Myles, D.A, Li, L. 登録日 2019-08-14 公開日 2020-09-02 最終更新日 2023-10-25 実験手法 NEUTRON DIFFRACTION (2.106 Å), X-RAY DIFFRACTION 主引用文献 Solvent entry into cavities of T4 lysozyme To be published
6U24	NMR solution structure of triazole bridged SFTI-1 分子名称: 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-ALA-PHE-PRO-ASP 著者 White, A.M, Harvey, P.J, Durek, T, Craik, D.J. 登録日 2019-08-19 公開日 2020-07-01 最終更新日 2020-07-15 実験手法 SOLUTION NMR 主引用文献 Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
6K97	Crystal structure of fusion DH domain 分子名称: Fusion DH, SULFATE ION 著者 Kawasaki, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. 登録日 2019-06-14 公開日 2019-11-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Functional and Structural Analyses of the Split-Dehydratase Domain in the Biosynthesis of Macrolactam Polyketide Cremimycin. Biochemistry, 58, 2019
5A29	Family 2 Pectate Lyase from Vibrio vulnificus 分子名称: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... 著者 McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. 登録日 2015-05-15 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015

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