6TQT
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![BU of 6tqt by Molmil](/molmil-images/mine/6tqt) | The crystal structure of the MSP domain of human MOSPD2. | 分子名称: | 1,2-ETHANEDIOL, Motile sperm domain-containing protein 2, PHOSPHATE ION | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | 登録日 | 2019-12-17 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts. Embo J., 39, 2020
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6TY3
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![BU of 6ty3 by Molmil](/molmil-images/mine/6ty3) | FAK structure from single particle analysis of 2D crystals | 分子名称: | Focal adhesion kinase 1 | 著者 | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | 登録日 | 2020-01-15 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (6.32 Å) | 主引用文献 | Structural basis of Focal Adhesion Kinase activation on lipid membranes. Embo J., 39, 2020
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6O97
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![BU of 6o97 by Molmil](/molmil-images/mine/6o97) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | 著者 | Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D. | 登録日 | 2019-03-13 | 公開日 | 2019-04-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens. J. Am. Chem. Soc., 141, 2019
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7OKB
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![BU of 7okb by Molmil](/molmil-images/mine/7okb) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | 登録日 | 2021-05-17 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OKC
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![BU of 7okc by Molmil](/molmil-images/mine/7okc) | Crystal structure of Escherichia coli LpxA in complex with compound 1 | 分子名称: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | 登録日 | 2021-05-17 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7P46
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![BU of 7p46 by Molmil](/molmil-images/mine/7p46) | Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO) | 分子名称: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CYANIDE ION, GLYCEROL, ... | 著者 | Kwon, H, Basran, J, Booth, E.S, Campbell, L.P, Thackray, S.J, Moody, P.C.E, Mowat, C.G, Raven, E.L. | 登録日 | 2021-07-09 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Binding of l-kynurenine to X. campestris tryptophan 2,3-dioxygenase. J.Inorg.Biochem., 225, 2021
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7OKA
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![BU of 7oka by Molmil](/molmil-images/mine/7oka) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | 分子名称: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ... | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | 登録日 | 2021-05-17 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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6UAN
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![BU of 6uan by Molmil](/molmil-images/mine/6uan) | B-Raf:14-3-3 complex | 分子名称: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | 著者 | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | 登録日 | 2019-09-11 | 公開日 | 2019-09-25 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases. Science, 366, 2019
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6OBA
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![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | 分子名称: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | 著者 | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | 登録日 | 2019-03-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
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6TY4
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![BU of 6ty4 by Molmil](/molmil-images/mine/6ty4) | FAK structure with AMP-PNP from single particle analysis of 2D crystals | 分子名称: | Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | 登録日 | 2020-01-15 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (5.96 Å) | 主引用文献 | Structural basis of Focal Adhesion Kinase activation on lipid membranes. Embo J., 39, 2020
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7OSQ
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![BU of 7osq by Molmil](/molmil-images/mine/7osq) | Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18) | 分子名称: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase | 著者 | Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C. | 登録日 | 2021-06-09 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients. J.Med.Chem., 65, 2022
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6OCP
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![BU of 6ocp by Molmil](/molmil-images/mine/6ocp) | Crystal structure of a human GABAB receptor peptide bound to KCTD16 T1 | 分子名称: | BTB/POZ domain-containing protein KCTD16, Gamma-aminobutyric acid type B receptor subunit 2 | 著者 | Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R. | 登録日 | 2019-03-25 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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6U8X
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![BU of 6u8x by Molmil](/molmil-images/mine/6u8x) | Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | 分子名称: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | 著者 | Gao, L, Song, J. | 登録日 | 2019-09-06 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95063877 Å) | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6R6A
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![BU of 6r6a by Molmil](/molmil-images/mine/6r6a) | Major aspartyl peptidase 1 from C. neoformans | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ... | 著者 | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | 登録日 | 2019-03-26 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery. J.Med.Chem., 64, 2021
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2YNM
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![BU of 2ynm by Molmil](/molmil-images/mine/2ynm) | Structure of the ADPxAlF3-Stabilized Transition State of the Nitrogenase-like Dark-Operative Protochlorophyllide Oxidoreductase Complex from Prochlorococcus marinus with Its Substrate Protochlorophyllide a | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | 著者 | Krausze, J, Lange, C, Heinz, D.W, Moser, J. | 登録日 | 2012-10-16 | 公開日 | 2013-01-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Adp-Aluminium Fluoride-Stabilized Protochlorophyllide Oxidoreductase Complex. Proc.Natl.Acad.Sci.USA, 110, 2013
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6R0J
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6OJN
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![BU of 6ojn by Molmil](/molmil-images/mine/6ojn) | Comparative Model of SGIV Major Coat Protein (MCP) Trimer Based on Cryo-EM Map | 分子名称: | Major capsid protein | 著者 | Pintilie, G, Chen, D.-H, Tran, B.N, Jakana, J, Wu, J, Hew, C.L, Chiu, W. | 登録日 | 2019-04-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (8.6 Å) | 主引用文献 | Segmentation and Comparative Modeling in an 8.6- angstrom Cryo-EM Map of the Singapore Grouper Iridovirus. Structure, 27, 2019
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | 分子名称: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7OT5
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![BU of 7ot5 by Molmil](/molmil-images/mine/7ot5) | CspA-70 cotranslational folding intermediate 1 | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | 登録日 | 2021-06-09 | 公開日 | 2022-01-19 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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8CJB
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![BU of 8cjb by Molmil](/molmil-images/mine/8cjb) | A268M variant of the CODH/ACS complex of C. hydrogenoformans | 分子名称: | ACETATE ION, CO-methylating acetyl-CoA synthase, Carbon monoxide dehydrogenase, ... | 著者 | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | 登録日 | 2023-02-13 | 公開日 | 2024-02-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 2024
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6RS2
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![BU of 6rs2 by Molmil](/molmil-images/mine/6rs2) | Structure of the Bateman module of human CNNM4. | 分子名称: | Metal transporter CNNM4 | 著者 | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | 登録日 | 2019-05-21 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.694 Å) | 主引用文献 | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4. Int J Mol Sci, 20, 2019
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | 分子名称: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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7P3R
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![BU of 7p3r by Molmil](/molmil-images/mine/7p3r) | Helical structure of the toxin MakA from Vibrio cholera | 分子名称: | MakA tetramer | 著者 | Berg, A, Nadeem, A, Uhlin, B.E, Wai, S.N, Barandun, J. | 登録日 | 2021-07-08 | 公開日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Protein-lipid interaction at low pH induces oligomerization of the MakA cytotoxin from Vibrio cholerae . Elife, 11, 2022
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3HVG
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![BU of 3hvg by Molmil](/molmil-images/mine/3hvg) | Structure of bace (beta secretase) in Complex with EV0 | 分子名称: | 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | 著者 | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | 登録日 | 2009-06-16 | 公開日 | 2009-11-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays Biochemistry, 48, 2009
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