6MC2
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8QH3
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8QUH
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![BU of 8quh by Molmil](/molmil-images/mine/8quh) | Hexameric HIV-1 CA in complex with DDD00057456 | 分子名称: | 4-methylquinolin-2-ol, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUL
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![BU of 8qul by Molmil](/molmil-images/mine/8qul) | Hexameric HIV-1 CA in complex with DDD00100555 | 分子名称: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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5IMM
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8QV1
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![BU of 8qv1 by Molmil](/molmil-images/mine/8qv1) | Hexameric HIV-1 CA in complex with DDD01728505 | 分子名称: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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5LI7
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![BU of 5li7 by Molmil](/molmil-images/mine/5li7) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | 分子名称: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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8QV9
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![BU of 8qv9 by Molmil](/molmil-images/mine/8qv9) | Hexameric HIV-1 CA in complex with DDD01829021 | 分子名称: | 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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1F45
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![BU of 1f45 by Molmil](/molmil-images/mine/1f45) | HUMAN INTERLEUKIN-12 | 分子名称: | INTERLEUKIN-12 ALPHA CHAIN, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | 登録日 | 2000-06-07 | 公開日 | 2001-06-20 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12. EMBO J., 19, 2000
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8QUW
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![BU of 8quw by Molmil](/molmil-images/mine/8quw) | Hexameric HIV-1 CA in complex with DDD01044153 | 分子名称: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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6SCN
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![BU of 6scn by Molmil](/molmil-images/mine/6scn) | 33mer structure of the Salmonella flagella MS-ring protein FliF | 分子名称: | Flagellar M-ring protein | 著者 | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | 登録日 | 2019-07-24 | 公開日 | 2020-03-18 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation. Nat Microbiol, 5, 2020
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8Q1M
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![BU of 8q1m by Molmil](/molmil-images/mine/8q1m) | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (+)-4 R | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Soluble acetylcholine receptor, ... | 著者 | Sulzenbacher, G, Bourne, Y, Marchot, P. | 登録日 | 2023-07-31 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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6AVF
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![BU of 6avf by Molmil](/molmil-images/mine/6avf) | Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex | 分子名称: | ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Gully, B.S, Gras, S, Rossjohn, J. | 登録日 | 2017-09-02 | 公開日 | 2018-02-28 | 最終更新日 | 2019-04-17 | 実験手法 | X-RAY DIFFRACTION (2.028 Å) | 主引用文献 | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide. Nat Commun, 9, 2018
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8QUC
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![BU of 8quc by Molmil](/molmil-images/mine/8quc) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | 分子名称: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | 登録日 | 2023-10-16 | 公開日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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6AWL
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![BU of 6awl by Molmil](/molmil-images/mine/6awl) | Crystal structure of human Coq9 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ... | 著者 | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | 登録日 | 2017-09-05 | 公開日 | 2019-02-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis. Mol. Cell, 73, 2019
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8QTL
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![BU of 8qtl by Molmil](/molmil-images/mine/8qtl) | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | 著者 | Sulzenbacher, G, Bourne, Y, Marchot, P. | 登録日 | 2023-10-12 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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6ZYT
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![BU of 6zyt by Molmil](/molmil-images/mine/6zyt) | Monomeric streptavidin with a conjugated biotinylated pyrrolidine | 分子名称: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid | 著者 | Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | 登録日 | 2020-08-03 | 公開日 | 2021-08-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The role of streptavidin and its variants in catalysis by biotinylated secondary amines. Org.Biomol.Chem., 19, 2021
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6B14
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![BU of 6b14 by Molmil](/molmil-images/mine/6b14) | Crystal structure of Spinach RNA aptamer in complex with Fab BL3-6S97N | 分子名称: | Heavy chain of Fab BL3-6S97N, Light chain of Fab BL3-6S97N, MAGNESIUM ION, ... | 著者 | DasGupta, S, Shelke, S.A, Piccirilli, J.A. | 登録日 | 2017-09-16 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography. Nucleic Acids Res., 46, 2018
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6B1G
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![BU of 6b1g by Molmil](/molmil-images/mine/6b1g) | Solution structure of TDP-43 N-terminal domain dimer. | 分子名称: | TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant | 著者 | Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L. | 登録日 | 2017-09-18 | 公開日 | 2018-02-28 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing. EMBO J., 37, 2018
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6M92
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![BU of 6m92 by Molmil](/molmil-images/mine/6m92) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | 分子名称: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2020-01-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6ZYU
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![BU of 6zyu by Molmil](/molmil-images/mine/6zyu) | Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549 | 分子名称: | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ... | 著者 | Dorosz, J, Christensen, K.M, Kastrup, J.S. | 登録日 | 2020-08-03 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors. Acs Chem Neurosci, 12, 2021
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1EZG
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![BU of 1ezg by Molmil](/molmil-images/mine/1ezg) | CRYSTAL STRUCTURE OF ANTIFREEZE PROTEIN FROM THE BEETLE, TENEBRIO MOLITOR | 分子名称: | THERMAL HYSTERESIS PROTEIN ISOFORM YL-1 | 著者 | Liou, Y.-C, Tocilj, A, Davies, P.L, Jia, Z. | 登録日 | 2000-05-10 | 公開日 | 2000-08-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Mimicry of ice structure by surface hydroxyls and water of a beta-helix antifreeze protein. Nature, 406, 2000
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5IH2
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![BU of 5ih2 by Molmil](/molmil-images/mine/5ih2) | Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H. | 登録日 | 2016-02-28 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl. Biophys.J., 110, 2016
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6M09
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7K0T
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![BU of 7k0t by Molmil](/molmil-images/mine/7k0t) | |