4B2I
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![BU of 4b2i by Molmil](/molmil-images/mine/4b2i) | Humanised monomeric RadA in complex with indazole | 分子名称: | 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-16 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B35
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![BU of 4b35 by Molmil](/molmil-images/mine/4b35) | Humanised monomeric RadA in complex with 4-methylester indole | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl 1H-indole-4-carboxylate | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-20 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4A7A
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![BU of 4a7a by Molmil](/molmil-images/mine/4a7a) | Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone | 分子名称: | (R)-ROSIGLITAZONE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E. | 登録日 | 2011-11-11 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs Acs Med. Chem. Lett., 3, 2012
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4A79
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![BU of 4a79 by Molmil](/molmil-images/mine/4a79) | Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone | 分子名称: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E. | 登録日 | 2011-11-11 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs Acs Med. Chem. Lett., 3, 2012
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4AG9
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![BU of 4ag9 by Molmil](/molmil-images/mine/4ag9) | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | 著者 | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | 登録日 | 2012-01-24 | 公開日 | 2012-07-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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7MFE
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![BU of 7mfe by Molmil](/molmil-images/mine/7mfe) | Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved | 分子名称: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | 登録日 | 2021-04-09 | 公開日 | 2022-01-26 | 最終更新日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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7MFF
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![BU of 7mff by Molmil](/molmil-images/mine/7mff) | Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor | 分子名称: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | 登録日 | 2021-04-09 | 公開日 | 2022-01-26 | 最終更新日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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7MFD
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![BU of 7mfd by Molmil](/molmil-images/mine/7mfd) | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | 分子名称: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | 登録日 | 2021-04-09 | 公開日 | 2022-01-26 | 最終更新日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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7LIR
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![BU of 7lir by Molmil](/molmil-images/mine/7lir) | Structure of the invertebrate ALK GRD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor homolog scd-2, ... | 著者 | Stayrook, S, Li, T, Klein, D.E. | 登録日 | 2021-01-27 | 公開日 | 2021-11-24 | 最終更新日 | 2021-12-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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7LS0
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![BU of 7ls0 by Molmil](/molmil-images/mine/7ls0) | Structure of the Human ALK GRD bound to AUG | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor fused with ALK and LTK ligand 2, CITRIC ACID | 著者 | Stayrook, S, Li, T, Klein, D.E. | 登録日 | 2021-02-17 | 公開日 | 2021-11-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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7LRZ
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![BU of 7lrz by Molmil](/molmil-images/mine/7lrz) | |
4CCX
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![BU of 4ccx by Molmil](/molmil-images/mine/4ccx) | ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-03-17 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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7NE5
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![BU of 7ne5 by Molmil](/molmil-images/mine/7ne5) | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | 分子名称: | Oligopeptidase B, SPERMINE | 著者 | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | 登録日 | 2021-02-03 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
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4A5S
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![BU of 4a5s by Molmil](/molmil-images/mine/4a5s) | CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ... | 著者 | Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K. | 登録日 | 2011-10-28 | 公開日 | 2012-02-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes. Bioorg.Med.Chem.Lett., 22, 2012
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7MRW
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![BU of 7mrw by Molmil](/molmil-images/mine/7mrw) | Native RhopH complex of the malaria parasite Plasmodium falciparum | 分子名称: | Cytoadherence linked asexual protein 3.1, High molecular weight rhoptry protein 2, High molecular weight rhoptry protein 3 | 著者 | Ho, C.M, Jih, J, Lai, M, Li, X.R, Goldberg, D.E, Beck, J.R, Zhou, Z.H. | 登録日 | 2021-05-10 | 公開日 | 2021-09-15 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Native structure of the RhopH complex, a key determinant of malaria parasite nutrient acquisition. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYR
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![BU of 7myr by Molmil](/molmil-images/mine/7myr) | BACE-1 in complex with compound #18 | 分子名称: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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7MYU
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![BU of 7myu by Molmil](/molmil-images/mine/7myu) | BACE-1 in complex with compound #22 | 分子名称: | Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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7MYI
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![BU of 7myi by Molmil](/molmil-images/mine/7myi) | BACE-1 in complex with compound #6 | 分子名称: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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3ZBV
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![BU of 3zbv by Molmil](/molmil-images/mine/3zbv) | Crystal Structure of murine Angiogenin-2 | 分子名称: | ANGIOGENIN-2, GLYCEROL, SULFATE ION, ... | 著者 | Iyer, S, Holloway, D.E, Acharya, K.R. | 登録日 | 2012-11-13 | 公開日 | 2012-12-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal Structures of Murine Angiogenin-2 and -3 - Probing 'Structure - Function' Relationships Amongst Angiogenin Homologues. FEBS J., 280, 2013
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7MDO
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![BU of 7mdo by Molmil](/molmil-images/mine/7mdo) | Structure of human p97 ATPase L464P mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | 登録日 | 2021-04-05 | 公開日 | 2021-08-25 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.12 Å) | 主引用文献 | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
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7MDM
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![BU of 7mdm by Molmil](/molmil-images/mine/7mdm) | Structure of human p97 ATPase L464P mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | 登録日 | 2021-04-05 | 公開日 | 2021-08-25 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.86 Å) | 主引用文献 | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
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3ZYX
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![BU of 3zyx by Molmil](/molmil-images/mine/3zyx) | Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | 分子名称: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Milczek, E.M, Binda, C, Rovida, S, Mattevi, A, Edmondson, D.E. | 登録日 | 2011-08-29 | 公開日 | 2011-12-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition. FEBS J., 278, 2011
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7KWW
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![BU of 7kww by Molmil](/molmil-images/mine/7kww) | X-ray Crystal Structure of PlyCB Mutant K59H | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | 登録日 | 2020-12-02 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
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7KWT
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![BU of 7kwt by Molmil](/molmil-images/mine/7kwt) | X-ray Crystal Structure of PlyCB Mutant Y28H | 分子名称: | PlyCB | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | 登録日 | 2020-12-02 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
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