PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6M8F	Engineered sperm whale myoglobin-based carbene transferase 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Bacik, J.P, Ando, N, Fasan, R. 登録日 2018-08-21 公開日 2019-01-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase. Acs Catalysis, 9, 2019
7UJS	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... 著者 Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
6EJ3	BACE1 compound 23 分子名称: (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1 著者 Johansson, P. 登録日 2017-09-20 公開日 2018-04-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity. J. Med. Chem., 61, 2018
8FP0	Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine 分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ... 著者 Schonbrunn, E, Sun, L. 登録日 2023-01-03 公開日 2023-05-31 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
7ELJ	Prion Derived Tetrapeptide Stabilizes Thermolabile Insulin via Conformational Trapping 分子名称: IS1, Insulin A Chain, Insulin B chain 著者 Banerjee, N. 登録日 2021-04-11 公開日 2021-04-28 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Prion-derived tetrapeptide stabilizes thermolabile insulin via conformational trapping. Iscience, 24, 2021
6AN5	Crystal Structure of The Nucelotide Binding Domain of an O-antigen polysaccharide ABC-transporter 分子名称: ABC transporter 著者 Zimmer, J, Bi, Y. 登録日 2017-08-12 公開日 2017-11-29 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.512 Å) 主引用文献 Architecture of a channel-forming O-antigen polysaccharide ABC transporter. Nature, 553, 2018
6EDF	Fragment of a tyrosine-protein kinase 分子名称: FYN, GLYCEROL, UNKNOWN ATOM OR ION 著者 Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC) 登録日 2018-08-09 公開日 2018-08-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Fragment of a tyrosine-protein kinase To be Published
5WB6	FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... 著者 Sheriff, S. 登録日 2017-06-28 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
7UJR	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... 著者 Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
7E90	Crystal structure of the receiver domain (D51E) of the response regulator VbrR from Vibrio parahaemolyticus 分子名称: DNA-binding response regulator 著者 Cho, S.Y, Yoon, S.I. 登録日 2021-03-03 公開日 2021-04-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural analysis of the activation and DNA interactions of the response regulator VbrR from Vibrio parahaemolyticus. Biochem.Biophys.Res.Commun., 555, 2021
5WBG	Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz 分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2017-06-29 公開日 2018-05-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
6LS8	The monomeric structure of G80A/H81A/H82A myoglobin 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. 登録日 2020-01-17 公開日 2020-05-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin. Chem Asian J, 15, 2020
7UJQ	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... 著者 Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
6B84	Crystal structure of Myotoxin II from Bothrops moojeni 分子名称: Basic phospholipase A2 homolog 2, SULFATE ION 著者 Salvador, G.H.M, dos Santos, J.I, Fontes, M.R.M. 登録日 2017-10-05 公開日 2018-10-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.997 Å) 主引用文献 Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin. Biochim Biophys Acta Proteins Proteom, 1866, 2018
6APM	Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation 分子名称: Lysozyme C, SODIUM ION 著者 Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Soltis, S.M, Cohen, A.E. 登録日 2017-08-17 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry, 56, 2017
6LXK	Crystal structure of Z2B3 D102R Fab in complex with influenza virus neuraminidase from A/Serbia/NS-601/2014 (H1N1) 分子名称: CALCIUM ION, Heavy chain of Z2B3-D102R Fab, Light chain of Z2B3-D102R Fab, ... 著者 Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. 登録日 2020-02-11 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.608 Å) 主引用文献 Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
4NXC	SPERM WHALE MYOGLOBIN UNDER 30 BAR NITROUS Oxide 分子名称: Myoglobin, NITROUS OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Colloc'h, N, Prange, T, Vallone, B. 登録日 2013-12-09 公開日 2014-09-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
8FF8	CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE 分子名称: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta 著者 Muckelbauer, J.K, Lewis, H.A. 登録日 2022-12-08 公開日 2023-06-07 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors. J.Med.Chem., 66, 2023
7UJP	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... 著者 Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
5WE8	Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8) 分子名称: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Xie, X, Kohls, D. 登録日 2017-07-07 公開日 2017-08-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models. J. Med. Chem., 60, 2017
5WDS	Choanoflagellate Salpingoeca rosetta Ras with GDP bound 分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Kondo, Y, Gee, C.L, Kuriyan, J. 登録日 2017-07-05 公開日 2017-07-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
4O0V	Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors 分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 4 著者 Rouge, L, Tam, C, Wang, W. 登録日 2013-12-14 公開日 2014-02-12 最終更新日 2014-02-26 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
6DG0	MEC-8 C-terminal RRM domain bound to AGCACA 分子名称: DNA (5'-D(*AP*GP*CP*AP*CP*A)-3'), Mec-8 protein 著者 Mackereth, C.D, Soufari, H. 登録日 2018-05-16 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.457 Å) 主引用文献 Structure of MEC-8 RRM2 in complex with AGCACA To Be Published
8FID	Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) 分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Stewart Jr, C.E, Nagel, R. 登録日 2022-12-16 公開日 2023-07-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
6M9L	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 著者 Lane, W, Okada, K. 登録日 2018-08-23 公開日 2019-04-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019

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