6YA8
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![BU of 6ya8 by Molmil](/molmil-images/mine/6ya8) | Cdc7-Dbf4 bound to ADP-BeF3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase, ... | 著者 | Dick, S.D, Cherepanov, P. | 登録日 | 2020-03-11 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase. Structure, 28, 2020
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2VUO
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![BU of 2vuo by Molmil](/molmil-images/mine/2vuo) | Crystal structure of the rabbit IgG Fc fragment | 分子名称: | AZIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Girardi, E, Holdom, M.D, Davies, A.M, Sutton, B.J, Beavil, A.J. | 登録日 | 2008-05-27 | 公開日 | 2008-09-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Crystal Structure of Rabbit Igg-Fc. Biochem.J., 417, 2009
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5D00
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![BU of 5d00 by Molmil](/molmil-images/mine/5d00) | Crystal structure of BshA from B. subtilis complexed with N-acetylglucosaminyl-malate and UMP | 分子名称: | (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid, N-acetyl-alpha-D-glucosaminyl L-malate synthase, PHOSPHATE ION, ... | 著者 | Cook, P.D, Winchell, K.R. | 登録日 | 2015-08-01 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Structural, Functional, and Computational Analysis of BshA, the First Enzyme in the Bacillithiol Biosynthesis Pathway. Biochemistry, 55, 2016
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6GGM
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![BU of 6ggm by Molmil](/molmil-images/mine/6ggm) | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | 著者 | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | 登録日 | 2018-05-03 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.734 Å) | 主引用文献 | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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5KCF
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![BU of 5kcf by Molmil](/molmil-images/mine/5kcf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | 分子名称: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-06-06 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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3G0B
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![BU of 3g0b by Molmil](/molmil-images/mine/3g0b) | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | 分子名称: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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8W4U
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![BU of 8w4u by Molmil](/molmil-images/mine/8w4u) | human KCNQ2-CaM in complex with PIP2 and HN37 | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | 著者 | Ma, D, Li, X, Guo, J. | 登録日 | 2023-08-25 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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4WSC
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![BU of 4wsc by Molmil](/molmil-images/mine/4wsc) | Crystal structure of a GroELK105A mutant | 分子名称: | 60 kDa chaperonin | 著者 | Lorimer, G.H, Ye, X, Fei, X, Yang, D, Corsepius, N, LaRonde, N.A. | 登録日 | 2014-10-26 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Crystal structure of a GroELK105A mutant To Be Published
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8IHS
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![BU of 8ihs by Molmil](/molmil-images/mine/8ihs) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | 分子名称: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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3G2K
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![BU of 3g2k by Molmil](/molmil-images/mine/3g2k) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | 分子名称: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | 著者 | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | 登録日 | 2009-01-31 | 公開日 | 2010-02-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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6NEH
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![BU of 6neh by Molmil](/molmil-images/mine/6neh) | N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE | 分子名称: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Valentic, T.R, Smolke, C.D, Payne, J.T. | 登録日 | 2018-12-17 | 公開日 | 2019-12-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum. To Be Published
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5LNY
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![BU of 5lny by Molmil](/molmil-images/mine/5lny) | HSP90 WITH indazole derivative | 分子名称: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | 著者 | Graedler, U, Amaral, M, Schuetz, D. | 登録日 | 2016-08-08 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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7Z7T
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![BU of 7z7t by Molmil](/molmil-images/mine/7z7t) | Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open state | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | 著者 | Kravchuk, V, Kampjut, D, Sazanov, L. | 登録日 | 2022-03-16 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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4WKS
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![BU of 4wks by Molmil](/molmil-images/mine/4wks) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | 分子名称: | Acyl-homoserine lactone acylase PvdQ, ethylboronic acid | 著者 | Wu, R, Clevenger, D.K, Fast, W, Liu, D. | 登録日 | 2014-10-03 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.629 Å) | 主引用文献 | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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6W4K
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![BU of 6w4k by Molmil](/molmil-images/mine/6w4k) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | 分子名称: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Hosfield, D.J. | 登録日 | 2020-03-11 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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8W4O
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![BU of 8w4o by Molmil](/molmil-images/mine/8w4o) | Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (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, ... | 著者 | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | 登録日 | 2023-08-24 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | 主引用文献 | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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6Q7C
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![BU of 6q7c by Molmil](/molmil-images/mine/6q7c) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, 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 (1.049 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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8IHR
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![BU of 8ihr by Molmil](/molmil-images/mine/8ihr) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | 分子名称: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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8IHQ
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![BU of 8ihq by Molmil](/molmil-images/mine/8ihq) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | 分子名称: | Amidohydrolase family protein, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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7Z7S
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![BU of 7z7s by Molmil](/molmil-images/mine/7z7s) | Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Closed state | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | 著者 | Kravchuk, V, Kampjut, D, Sazanov, L. | 登録日 | 2022-03-16 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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8PZO
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![BU of 8pzo by Molmil](/molmil-images/mine/8pzo) | LpdD | 分子名称: | Protein LpdD, SODIUM ION | 著者 | Gahloth, D, Leys, D. | 登録日 | 2023-07-27 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of LpdD from Lactobacillus plantarum. To Be Published
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7SII
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![BU of 7sii by Molmil](/molmil-images/mine/7sii) | Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53) | 分子名称: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP | 著者 | Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X. | 登録日 | 2021-10-14 | 公開日 | 2022-02-02 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Activation of STING by targeting a pocket in the transmembrane domain. Nature, 604, 2022
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7S22
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![BU of 7s22 by Molmil](/molmil-images/mine/7s22) | Crystal structure of alpha-COP-WD40 domain | 分子名称: | Coatomer subunit alpha | 著者 | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | 登録日 | 2021-09-02 | 公開日 | 2022-02-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking Commun Biol, 5, 2022
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7Z7V
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![BU of 7z7v by Molmil](/molmil-images/mine/7z7v) | Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open-ready state | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | 著者 | Kravchuk, V, Kampjut, D, Sazanov, L. | 登録日 | 2022-03-16 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.29 Å) | 主引用文献 | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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6WBQ
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![BU of 6wbq by Molmil](/molmil-images/mine/6wbq) | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... | 著者 | Herbst-Gervasoni, C.J, Christianson, D.W. | 登録日 | 2020-03-27 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
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