6VI3
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![BU of 6vi3 by Molmil](/molmil-images/mine/6vi3) | Straight Filament from Alzheimer's Disease Human Brain Tissue | 分子名称: | GLYCINE, Microtubule-associated protein tau | 著者 | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | 登録日 | 2020-01-11 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains Cell, 180, 2020
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2IWZ
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![BU of 2iwz by Molmil](/molmil-images/mine/2iwz) | Human mitochondrial beta-ketoacyl ACP synthase complexed with hexanoic acid | 分子名称: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE, AMMONIUM ION, HEXANOIC ACID | 著者 | Christensen, C.E, Kragelund, B.B, von Wettstein-Knowles, P, Henriksen, A. | 登録日 | 2006-07-05 | 公開日 | 2007-02-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure of the Human Beta-Ketoacyl [Acp] Synthase from the Mitochondrial Type II Fatty Acid Synthase. Protein Sci., 16, 2007
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2C63
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![BU of 2c63 by Molmil](/molmil-images/mine/2c63) | 14-3-3 Protein Eta (Human) Complexed to Peptide | 分子名称: | 14-3-3 PROTEIN ETA, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | 著者 | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | 登録日 | 2005-11-07 | 公開日 | 2005-11-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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2BY4
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![BU of 2by4 by Molmil](/molmil-images/mine/2by4) | SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT. | 分子名称: | (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Jensen, A.L, Moller, J.V, Soehoel, H, Denmeade, S.R, Isaacs, J.T, Olsen, C.E, Christensen, S.B, Nissen, P. | 登録日 | 2005-07-28 | 公開日 | 2006-04-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells Bioorg.Med.Chem., 14, 2006
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2JLE
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![BU of 2jle by Molmil](/molmil-images/mine/2jle) | Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays | 分子名称: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH | 著者 | Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M. | 登録日 | 2008-09-08 | 公開日 | 2009-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays. J.Med.Chem., 52, 2009
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6VRV
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![BU of 6vrv by Molmil](/molmil-images/mine/6vrv) | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | 分子名称: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | 著者 | Barberis, C.E, Batchelor, J.D, Liu, J. | 登録日 | 2020-02-10 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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1KOK
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![BU of 1kok by Molmil](/molmil-images/mine/1kok) | Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP) | 分子名称: | Cytochrome c Peroxidase, FE(III)-(4-MESOPORPHYRINONE) | 著者 | Bhaskar, B, Immoos, C.E, Cohen, M.S, Barrows, T.P, Farmer, P.J, Poulos, T.L. | 登録日 | 2001-12-20 | 公開日 | 2002-10-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mesopone cytochrome c peroxidase: functional model of heme oxygenated oxidases. J.Inorg.Biochem., 91, 2002
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2BPQ
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![BU of 2bpq by Molmil](/molmil-images/mine/2bpq) | Anthranilate phosphoribosyltransferase (TrpD) from Mycobacterium tuberculosis (Apo structure) | 分子名称: | ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE, BENZAMIDINE, GLYCEROL | 著者 | Lee, C.E, Goodfellow, C, Javid-Majd, F, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2005-04-22 | 公開日 | 2006-01-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Crystal Structure of Trpd, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium Tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate J.Mol.Biol., 355, 2006
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6YVE
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![BU of 6yve by Molmil](/molmil-images/mine/6yve) | Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside | 分子名称: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | 著者 | Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T. | 登録日 | 2020-04-28 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode. J.Agric.Food Chem., 68, 2020
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3ZEU
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![BU of 3zeu by Molmil](/molmil-images/mine/3zeu) | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer bound to ATPgammaS | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | 登録日 | 2012-12-07 | 公開日 | 2013-03-20 | 最終更新日 | 2017-03-29 | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | 主引用文献 | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex. Protein Sci., 22, 2013
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6VRU
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![BU of 6vru by Molmil](/molmil-images/mine/6vru) | PIM-inhibitor complex 1 | 分子名称: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | 著者 | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | 登録日 | 2020-02-10 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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6YSO
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![BU of 6yso by Molmil](/molmil-images/mine/6yso) | Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing | 分子名称: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | 著者 | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | 登録日 | 2020-04-22 | 公開日 | 2020-11-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins. Iucrj, 7, 2020
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6W8Y
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![BU of 6w8y by Molmil](/molmil-images/mine/6w8y) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-21 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8Z
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![BU of 6w8z by Molmil](/molmil-images/mine/6w8z) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-21 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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2CCG
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![BU of 2ccg by Molmil](/molmil-images/mine/2ccg) | Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP) | 分子名称: | THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE | 著者 | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | 登録日 | 2006-01-16 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2CCK
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![BU of 2cck by Molmil](/molmil-images/mine/2cck) | CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | 著者 | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | 登録日 | 2006-01-16 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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6W91
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![BU of 6w91 by Molmil](/molmil-images/mine/6w91) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-21 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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3ZJX
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![BU of 3zjx by Molmil](/molmil-images/mine/3zjx) | Clostridium perfringens epsilon toxin mutant H149A bound to octyl glucoside | 分子名称: | EPSILON-TOXIN, PHOSPHATE ION, octyl beta-D-glucopyranoside | 著者 | Bokori-Brown, M, Kokkinidou, M.C, Savva, C.G, Fernandes da Costa, S.P, Naylor, C.E, Cole, A.R, Basak, A.K, Titball, R.W. | 登録日 | 2013-01-20 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Clostridium Perfringens Epsilon Toxin H149A Mutant as a Platform for Receptor Binding Studies. Protein Sci., 22, 2013
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2INT
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![BU of 2int by Molmil](/molmil-images/mine/2int) | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4 | 分子名称: | INTERLEUKIN-4 | 著者 | Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E. | 登録日 | 1993-07-22 | 公開日 | 1994-01-31 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure of recombinant human interleukin-4. J.Biol.Chem., 267, 1992
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3ZCG
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![BU of 3zcg by Molmil](/molmil-images/mine/3zcg) | Ascorbate peroxidase W41A-H42C mutant | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ... | 著者 | Gumiero, A, Raven, E.L, Moody, P.C.E. | 登録日 | 2012-11-20 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | 主引用文献 | Probing the Conformational Mobility of the Active Site of a Heme Peroxidase. Dalton Trans, 42, 2013
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5CEE
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![BU of 5cee by Molmil](/molmil-images/mine/5cee) | Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+ | 分子名称: | MAGNESIUM ION, NAD-dependent malic enzyme, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Alvarez, C.E, Trajtenberg, F, Larrieux, N, Saigo, M, Mussi, M.A, Andreo, C.S, Drincovich, M.F, Buschiazzo, A. | 登録日 | 2015-07-06 | 公開日 | 2016-10-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | The crystal structure of the malic enzyme from Candidatus Phytoplasma reveals the minimal structural determinants for a malic enzyme. Acta Crystallogr D Struct Biol, 74, 2018
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3ZJZ
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![BU of 3zjz by Molmil](/molmil-images/mine/3zjz) | Open-form NavMS Sodium Channel Pore (with C-terminal Domain) | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, ION TRANSPORT PROTEIN, ... | 著者 | Bagneris, C, Naylor, C.E, Wallace, B.A. | 登録日 | 2013-01-21 | 公開日 | 2013-10-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Role of the C-Terminal Domain in the Structure and Function of Tetrameric Sodium Channels. Nat.Commun., 4, 2013
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3ZT7
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![BU of 3zt7 by Molmil](/molmil-images/mine/3zt7) | GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound | 分子名称: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | 登録日 | 2011-07-01 | 公開日 | 2011-09-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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6WN7
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![BU of 6wn7 by Molmil](/molmil-images/mine/6wn7) | Homo sapiens S100A5 | 分子名称: | CALCIUM ION, Protein S100-A5 | 著者 | Perkins, A, Harms, M.J, Wong, C.E, Wheeler, L.C. | 登録日 | 2020-04-22 | 公開日 | 2020-09-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Learning peptide recognition rules for a low-specificity protein. Protein Sci., 29, 2020
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6Z1A
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![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | 登録日 | 2020-05-13 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
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