PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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9D51	Structure of PAK2 in complex with compound 12 分子名称: N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine, PAK-2p34 著者 Cakici, O, Suto, R.K, Olland, A.M. 登録日 2024-08-13 公開日 2025-04-02 最終更新日 2025-07-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2. Bioorg.Med.Chem.Lett., 127, 2025
5XCO	Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide 分子名称: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ... 著者 Sogabe, S, Miwa, M. 登録日 2017-03-23 公開日 2017-05-24 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d ACS Med Chem Lett, 8, 2017
7DDQ	Structure of RC-LH1-PufX from Rhodobacter veldkampii 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Antenna pigment protein alpha chain, Antenna pigment protein beta chain, ... 著者 Bracun, L, Yamagata, A, Shirouzu, M, Liu, L.N. 登録日 2020-10-29 公開日 2021-06-30 最終更新日 2025-06-25 実験手法 ELECTRON MICROSCOPY (2.84 Å) 主引用文献 Cryo-EM structure of the photosynthetic RC-LH1-PufX supercomplex at 2.8-angstrom resolution. Sci Adv, 7, 2021
5UOF	Crystal structure of alpha,alpha-trehalose 6-phosphate sythase from Burkholderia multivorans 分子名称: 1,2-ETHANEDIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), SERINE, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-01-31 公開日 2017-02-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of alpha,alpha-trehalose 6-phosphate sythase from Burkholderia multivorans to be published
5BVU	Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... 著者 Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. 登録日 2015-06-05 公開日 2016-05-18 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2). Acs Chem.Biol., 11, 2016
7SNO	Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase 分子名称: 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ... 著者 Ulaganathan, T, Cygler, M. 登録日 2021-10-28 公開日 2022-10-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
3HCA	Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy 分子名称: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ... 著者 Drinkwater, N, Martin, J.L. 登録日 2009-05-06 公開日 2009-08-25 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity. Biochem.J., 422, 2009
5K0L	Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... 著者 Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. 登録日 2016-05-17 公開日 2016-09-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
7DLS	Cytochrome P450 (CYP105D18) complex with papaverine 分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Do, H, Lee, J.H. 登録日 2020-11-30 公開日 2021-07-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Characterization of high-H 2 O 2 -tolerant bacterial cytochrome P450 CYP105D18: insights into papaverine N-oxidation. Iucrj, 8, 2021
6DO9	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOJ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 5 mM K+ for 120 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.403 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6G3M	Phosphotriesterase PTE_C23M_4 分子名称: 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... 著者 Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. 登録日 2018-03-26 公開日 2019-04-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.665 Å) 主引用文献 Phosphotriesterase PTE_C23M_4 To Be Published
6DOX	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 360 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPB	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 8 mM Mn2+ and 200 mM K+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.324 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
5C3F	Crystal structure of Mcl-1 bound to BID-MM 分子名称: BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. 登録日 2015-06-17 公開日 2016-04-20 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Hydrocarbon constrained peptides - understanding preorganisation and binding affinity. Chem Sci, 7, 2016
6GBJ	Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions 分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... 著者 Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. 登録日 2018-04-15 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
6GBC	The Structure of variant R369A of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP and molybdate 分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... 著者 Krausze, J. 登録日 2018-04-13 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 The functional principle of eukaryotic molybdenum insertases. Biochem. J., 475, 2018
5C07	1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA 分子名称: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... 著者 Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. 登録日 2015-06-12 公開日 2016-05-04 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
3K3G	Crystal Structure of the Urea Transporter from Desulfovibrio Vulgaris Bound to 1,3-dimethylurea 分子名称: 1,3-dimethylurea, GOLD ION, Urea transporter 著者 Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS) 登録日 2009-10-02 公開日 2009-11-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of a bacterial homologue of the kidney urea transporter. Nature, 462, 2009
8EHU	Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution 分子名称: Beta-lactamase 著者 Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S. 登録日 2022-09-14 公開日 2023-05-31 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
6FZH	Crystal structure of a streptococcal dehydrogenase at 1.5 Angstroem resolution 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... 著者 Gomez, S, Querol-Garcia, J, Sanchez-Barron, G, Subias, M, Gonzalez-Alsina, A, Melchor-Tafur, C, Franco-Hidalgo, V, Alberti, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. 登録日 2018-03-14 公開日 2019-03-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding. Front Microbiol, 10, 2019
5BX5	Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... 著者 Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. 登録日 2015-06-08 公開日 2016-05-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
6GA4	Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map 分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... 著者 Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. 登録日 2018-04-11 公開日 2019-04-24 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
5LTT	Yeast 20S proteasome with human beta5i (1-138; R57T)in complex with PR-924 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... 著者 Groll, M, Huber, E.M. 登録日 2016-09-07 公開日 2016-11-09 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
7VRV	VAS5 Spike (1 RBD up) 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, Spike glycoprotein 著者 Zhen, C, Wang, X. 登録日 2021-10-25 公開日 2022-06-22 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 VAS5 Spike(1 RBD up) To Be Published

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