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

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6TDY	Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, OSCP/F1/c-ring in rotational state 1 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... 著者 Muhleip, A, Amunts, A. 登録日 2019-11-10 公開日 2019-11-27 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.04 Å) 主引用文献 Structure of a mitochondrial ATP synthase with bound native cardiolipin. Elife, 8, 2019
9D1O	Lucilia cuprina alpha esterase 7 directed evolution round 4 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Frkic, R.L, Fraser, N, Mabbitt, P.D, Jackson, C.J. 登録日 2024-08-07 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Lucilia cuprina alpha esterase 7 directed evolution round 4 To Be Published
9D1N	Lucilia cuprina alpha esterase 7 directed evolution round 3 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Frkic, R.L, Fraser, N, Mabbitt, P.D, Jackson, C.J. 登録日 2024-08-07 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Lucilia cuprina alpha esterase 7 directed evolution round 3 To Be Published
6DFR	CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE 分子名称: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bystroff, C, Oatley, S.J, Kraut, J. 登録日 1988-10-21 公開日 1990-07-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state. Biochemistry, 29, 1990
8R32	Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 A resolution 分子名称: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, GLUTAMIC ACID, ... 著者 Bay, Y, Jeppesen, M.E, Frydenvang, K, Kastrup, J.S. 登録日 2023-11-08 公開日 2024-09-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2. Febs Lett., 598, 2024
9GXH	Nanobody bound to TBA G-quadruplex 分子名称: 1,2-ETHANEDIOL, Nanobody, POTASSIUM ION, ... 著者 Hadzi, S, Pevec, M. 登録日 2024-09-30 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of G-quadruplex recognition by a camelid antibody fragment. Nucleic Acids Res., 53, 2025
6Q78	The structure of GH26C from Muricauda sp. MAR_2010_75 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH26C 著者 Robb, C.S, Hehemann, J.H. 登録日 2018-12-13 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The structure of GH26C from Muricauda sp. MAR_2010_75 To Be Published
9DH0	The Cryo-EM structure of recombinantly expressed hUGDH in complex with UDP-4-keto-xylose 分子名称: (2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), UDP-glucose 6-dehydrogenase 著者 Kadirvelraj, R, Walsh Jr, R.M, Wood, Z.W. 登録日 2024-09-03 公開日 2025-03-05 最終更新日 2025-03-12 実験手法 ELECTRON MICROSCOPY (2.38 Å) 主引用文献 Cryo-EM Structure of Recombinantly Expressed hUGDH Unveils a Hidden, Alternative Allosteric Inhibitor. Biochemistry, 64, 2025
6DVN	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137 分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2018-06-24 公開日 2018-08-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem., 61, 2018
6QHO	Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1a 分子名称: 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 著者 Wolle, P, Mueller, M.P, Rauh, D. 登録日 2019-01-17 公開日 2019-05-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
8Z11	Cryo-EM structure of haptophyte photosystem I 分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... 著者 He, F.Y, Zhao, L.S, Li, K, Zhang, Y.Z, Liu, L.N. 登録日 2024-04-10 公開日 2025-01-22 実験手法 ELECTRON MICROSCOPY (2.74 Å) 主引用文献 Structural insights into the assembly and energy transfer of haptophyte photosystem I-light-harvesting supercomplex. Proc.Natl.Acad.Sci.USA, 121, 2024
8AGP	Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 分子名称: (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... 著者 Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. 登録日 2022-07-20 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
6ECP	The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 分子名称: Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bueno, R.V, Dawson, A, Hunter, W.N. 登録日 2018-08-08 公開日 2019-03-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
1LRT	CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRITRICHOMONAS FOETUS INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE: STRUCTURAL CHARACTERIZATION OF NAD+ SITE IN MICROBIAL ENZYME 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, ... 著者 Gan, L, Petsko, G.A, Hedstrom, L. 登録日 2002-05-15 公開日 2003-07-07 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis Biochemistry, 41, 2003
6JWL	Crystal structure of EGFR 696-1022 L858R in complex with AZD9291 分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide 著者 Yun, C.H, Zhu, S.J, Yan, X.E. 登録日 2019-04-21 公開日 2020-04-22 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.551 Å) 主引用文献 Structural Basis of AZD9291 Selectivity for EGFR T790M. J.Med.Chem., 63, 2020
6QFT	Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b 分子名称: 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 著者 Wolle, P, Mueller, M.P, Rauh, D. 登録日 2019-01-10 公開日 2019-05-22 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
7QXK	As isolated MSOX movie series dataset 1 (0.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... 著者 Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. 登録日 2022-01-26 公開日 2022-08-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
5KDT	Structure of the human GluN1/GluN2A LBD in complex with GNE0723 分子名称: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... 著者 Wallweber, H.J.A, Lupardus, P.J. 登録日 2016-06-08 公開日 2016-07-13 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J. Med. Chem., 59, 2016
9GJX	Bacillus licheniformis nitroreductase 分子名称: 1,2-ETHANEDIOL, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ... 著者 Crennell, S.J, Danson, M.J, Emptage, C. 登録日 2024-08-23 公開日 2025-09-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of Bacillus licheniformis nitroreductase and analysis of prodrug specificity To Be Published
4ZF3	Crystal structure of Green Fluorescent Protein (GFP); S65T, H148D; circular permutant ( 50-51) 分子名称: Green fluorescent protein 著者 Oltrogge, L.M, Boxer, S.G. 登録日 2015-04-21 公開日 2015-06-10 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP). Acs Cent.Sci., 1, 2015
8WFM	Crystal structure of Omicron BA.1 in complex with a neutralizing antibody scFv T11 分子名称: Spike protein S1, T11 scFv 著者 Terekhov, S.S, Mokrushina, Y.A, Zhang, M, Zhang, N, Gabibov, A, Guo, Y. 登録日 2023-09-19 公開日 2024-09-25 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Crystal structure of Omicron BA.1 in complex with a neutralizing antibody scFv T11 To Be Published
1LXC	Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor 分子名称: 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F. 登録日 2002-06-05 公開日 2002-09-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI). J.Med.Chem., 45, 2002
8DT5	X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) 分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... 著者 Kovalevsky, A.Y, Gerlits, O, Radic, Z. 登録日 2022-07-25 公開日 2022-11-02 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
6A0I	Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant 分子名称: GLYCEROL, PHOSPHATE ION, Protein N-terminal asparagine amidohydrolase 著者 Park, J.S, Han, B.W. 登録日 2018-06-05 公開日 2019-12-11 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.996 Å) 主引用文献 Structural Analyses on the Deamidation of N-Terminal Asn in the Human N-Degron Pathway. Biomolecules, 10, 2020
6HIB	The ATAD2 bromodomain in complex with compound 14 分子名称: 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION 著者 Sledz, P, Caflisch, A. 登録日 2018-08-29 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.029 Å) 主引用文献 Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020

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