7MSQ
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1ENE
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7MOH
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![BU of 7moh by Molmil](/molmil-images/mine/7moh) | Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5PP-InsP4) and phosphate in conformation B (Pi(B)) | 分子名称: | (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1 | 著者 | Wang, H, Shears, S.B. | 登録日 | 2021-05-01 | 公開日 | 2022-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop. Nat Commun, 13, 2022
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5WFJ
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![BU of 5wfj by Molmil](/molmil-images/mine/5wfj) | THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR | 分子名称: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 | 著者 | Sack, J. | 登録日 | 2017-07-12 | 公開日 | 2017-10-04 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of highly potent, selective, covalent inhibitors of JAK3. Bioorg. Med. Chem. Lett., 27, 2017
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1EN3
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1EN8
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4K4U
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![BU of 4k4u by Molmil](/molmil-images/mine/4k4u) | Poliovirus polymerase elongation complex (r5_form) | 分子名称: | RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*A)-3'), RNA (5'-R(P*GP*GP*GP*GP*GP*AP*GP*AP*UP*GP*A)-3'), ... | 著者 | Gong, P, Peersen, O.B. | 登録日 | 2013-04-12 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
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7MOL
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4AUN
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![BU of 4aun by Molmil](/molmil-images/mine/4aun) | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | 著者 | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | 登録日 | 2012-05-18 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4BCS
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![BU of 4bcs by Molmil](/molmil-images/mine/4bcs) | Crystal structure of an avidin mutant | 分子名称: | ACETATE ION, BIOTIN, CHIMERIC AVIDIN, ... | 著者 | Airenne, T.T, Niederhauser, B, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S. | 登録日 | 2012-10-03 | 公開日 | 2013-10-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Novel Chimeric Avidin with Increased Thermal Stability Using DNA Shuffling. Plos One, 9, 2014
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8BLP
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![BU of 8blp by Molmil](/molmil-images/mine/8blp) | Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14 | 分子名称: | 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L. | 登録日 | 2022-11-10 | 公開日 | 2023-10-04 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structural characterization of human urea transporters UT-A and UT-B and their inhibition. Sci Adv, 9, 2023
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3M8Y
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![BU of 3m8y by Molmil](/molmil-images/mine/3m8y) | Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M. | 登録日 | 2010-03-19 | 公開日 | 2010-12-29 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle. J.Biol.Chem., 286, 2011
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4K4X
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![BU of 4k4x by Molmil](/molmil-images/mine/4k4x) | Coxsackievirus B3 polymerase elongation complex (r2_form), rna | 分子名称: | GLYCEROL, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), ... | 著者 | Gong, P, Peersen, O.B. | 登録日 | 2013-04-12 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
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2MND
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![BU of 2mnd by Molmil](/molmil-images/mine/2mnd) | Recognition complex of DNA d(CGACGCGTCG)2 with thiazotropsin B | 分子名称: | 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3', thiazotropsin B | 著者 | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | 登録日 | 2014-04-03 | 公開日 | 2014-07-30 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
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6WPT
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![BU of 6wpt by Molmil](/molmil-images/mine/6wpt) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state) | 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, S309 neutralizing antibody heavy chain, ... | 著者 | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2020-04-27 | 公開日 | 2020-05-27 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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7M6K
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2LWO
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![BU of 2lwo by Molmil](/molmil-images/mine/2lwo) | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion | 分子名称: | DNA (5'-D(*G*CP*GP*TP*AP*C*(LWM)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3') | 著者 | Zalianyak, T, de los Santos, C, Lukin, M, Attaluri, S, Johnson, F. | 登録日 | 2012-08-03 | 公開日 | 2013-02-20 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion Chem.Res.Toxicol., 25, 2012
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2LWN
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![BU of 2lwn by Molmil](/molmil-images/mine/2lwn) | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion | 分子名称: | DNA (5'-D(*CP*GP*TP*AP*C*(LWM)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3') | 著者 | Zalianyak, T, de los Santos, C, Lukin, M, Attaluri, S, Johnson, F. | 登録日 | 2012-08-03 | 公開日 | 2013-02-20 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion Chem.Res.Toxicol., 25, 2012
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2LWM
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![BU of 2lwm by Molmil](/molmil-images/mine/2lwm) | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion | 分子名称: | DNA (5'-D(*CP*GP*TP*AP*C*(LWM)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3') | 著者 | Zalianyak, T, de los Santos, C, Lukin, M, Attaluri, S, Johnson, F. | 登録日 | 2012-08-03 | 公開日 | 2013-02-20 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion Chem.Res.Toxicol., 25, 2012
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4K4V
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![BU of 4k4v by Molmil](/molmil-images/mine/4k4v) | Poliovirus polymerase elongation complex (r5+1_form) | 分子名称: | DNA/RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*A)-D(P*C)-3'), RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), RNA-directed RNA polymerase 3D-POL, ... | 著者 | Gong, P, Peersen, O.B. | 登録日 | 2013-04-12 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
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8BHM
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![BU of 8bhm by Molmil](/molmil-images/mine/8bhm) | GABA-A receptor a5 homomer - a5V3 - DMCM | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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6QX2
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![BU of 6qx2 by Molmil](/molmil-images/mine/6qx2) | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | 分子名称: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D. | 登録日 | 2019-03-06 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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4KIK
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![BU of 4kik by Molmil](/molmil-images/mine/4kik) | Human IkB kinase beta | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A | 著者 | Liu, S, Mosyak, L. | 登録日 | 2013-05-02 | 公開日 | 2013-06-26 | 最終更新日 | 2013-08-28 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer. J.Biol.Chem., 288, 2013
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1ELA
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![BU of 1ela by Molmil](/molmil-images/mine/1ela) | Analogous inhibitors of elastase do not always bind analogously | 分子名称: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ... | 著者 | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | 登録日 | 1993-12-07 | 公開日 | 1994-04-30 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Analogous inhibitors of elastase do not always bind analogously. Nat.Struct.Biol., 1, 1994
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6WPS
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![BU of 6wps by Molmil](/molmil-images/mine/6wps) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment | 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, S309 neutralizing antibody heavy chain, ... | 著者 | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2020-04-27 | 公開日 | 2020-05-27 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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