5MRH
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![BU of 5mrh by Molmil](/molmil-images/mine/5mrh) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ... | 著者 | Andersen, J.L, Strandbygaard, D, Thirup, S. | 登録日 | 2016-12-23 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg. Med. Chem. Lett., 27, 2017
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1TP5
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![BU of 1tp5 by Molmil](/molmil-images/mine/1tp5) | Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV | 分子名称: | LYS-LYS-GLU-THR-TRP-VAL peptide ligand, Presynaptic density protein 95 | 著者 | Saro, D, Wawrzak, Z, Martin, P, Vickrey, J, Paredes, A, Kovari, L, Spaller, M. | 登録日 | 2004-06-15 | 公開日 | 2005-09-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand To be Published
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5MRV
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![BU of 5mrv by Molmil](/molmil-images/mine/5mrv) | Crystal structure of human carboxypeptidase O in complex with NvCI | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase O, Metallocarboxypeptidase inhibitor, ... | 著者 | Garcia-Pardo, J, Garcia-Guerrero, M.C, Fernandez-Alvarez, R, Lyons, P, Aviles, F.X, Lorenzo, J, Reverter, D. | 登録日 | 2016-12-27 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | 主引用文献 | Crystal structure and mechanism of human carboxypeptidase O: Insights into its specific activity for acidic residues. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5S6Y
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![BU of 5s6y by Molmil](/molmil-images/mine/5s6y) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z56900771 | 分子名称: | CITRIC ACID, N-[(furan-2-yl)methyl]urea, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2020-11-13 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5MSE
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5S6Z
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![BU of 5s6z by Molmil](/molmil-images/mine/5s6z) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with PB2255187532 | 分子名称: | 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine, CITRIC ACID, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2020-11-13 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S4I
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![BU of 5s4i by Molmil](/molmil-images/mine/5s4i) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | 分子名称: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.131 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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1PET
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![BU of 1pet by Molmil](/molmil-images/mine/1pet) | NMR SOLUTION STRUCTURE OF THE TETRAMERIC MINIMUM TRANSFORMING DOMAIN OF P53 | 分子名称: | TUMOR SUPPRESSOR P53 | 著者 | Lee, W, Harvey, T.S, Yin, Y, Yau, P, Litchfield, D, Arrowsmith, C.H. | 登録日 | 1994-11-24 | 公開日 | 1995-02-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the tetrameric minimum transforming domain of p53. Nat.Struct.Biol., 1, 1994
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5MSX
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![BU of 5msx by Molmil](/molmil-images/mine/5msx) | Glycoside hydrolase BT_3662 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-06 | 公開日 | 2017-03-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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2WMW
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![BU of 2wmw by Molmil](/molmil-images/mine/2wmw) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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1PG1
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![BU of 1pg1 by Molmil](/molmil-images/mine/1pg1) | PROTEGRIN 1 (PG1) FROM PORCINE LEUKOCYTES, NMR, 20 STRUCTURES | 分子名称: | PROTEGRIN-1 | 著者 | Fahrner, R.L, Dieckmann, T, Harwig, S.S.L, Lehrer, R.I, Eisenberg, D, Feigon, J. | 登録日 | 1998-03-20 | 公開日 | 1998-05-27 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of protegrin-1, a broad-spectrum antimicrobial peptide from porcine leukocytes. Chem.Biol., 3, 1996
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5MUI
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![BU of 5mui by Molmil](/molmil-images/mine/5mui) | Glycoside hydrolase BT_0996 | 分子名称: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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2WMT
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![BU of 2wmt by Molmil](/molmil-images/mine/2wmt) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMV
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![BU of 2wmv by Molmil](/molmil-images/mine/2wmv) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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1U0C
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![BU of 1u0c by Molmil](/molmil-images/mine/1u0c) | Y33C Mutant of Homing endonuclease I-CreI | 分子名称: | 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ... | 著者 | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | 登録日 | 2004-07-13 | 公開日 | 2004-11-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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1PRA
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2WK6
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![BU of 2wk6 by Molmil](/molmil-images/mine/2wk6) | Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil | 分子名称: | 5-IODOURACIL, THYMIDINE PHOSPHORYLASE | 著者 | Mitsiki, E, Papageorgiou, A.C, Iyer, S, Thiyagarajan, N, Prior, S.H, Sleep, D, Finnis, C, Acharya, K.R. | 登録日 | 2009-06-05 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil. Biochem.Biophys.Res.Commun., 386, 2009
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2WKR
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![BU of 2wkr by Molmil](/molmil-images/mine/2wkr) | Structure of a photoactivatable Rac1 containing the Lov2 C450M Mutant | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wu, Y.I, Frey, D, Lungu, O.I, Jaehrig, A, Schlichting, I, Kuhlman, B, Hahn, K.M. | 登録日 | 2009-06-16 | 公開日 | 2009-08-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells. Nature, 461, 2009
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2WMP
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![BU of 2wmp by Molmil](/molmil-images/mine/2wmp) | Structure of the E. coli chaperone PapD in complex with the pilin domain of the PapGII adhesin | 分子名称: | CHAPERONE PROTEIN PAPD, PAPG PROTEIN | 著者 | Ford, B.A, Verger, D, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J. | 登録日 | 2009-07-02 | 公開日 | 2010-08-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the Papd-Papgii Pilin Complex Reveals an Open and Flexible P5 Pocket. J.Bacteriol., 194, 2012
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1RQ1
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![BU of 1rq1 by Molmil](/molmil-images/mine/1rq1) | Structure of Ero1p, Source of Disulfide Bonds for Oxidative Protein Folding in the Cell | 分子名称: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Gross, E, Kastner, D.B, Kaiser, C.A, Fass, D. | 登録日 | 2003-12-04 | 公開日 | 2004-06-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of ero1p, source of disulfide bonds for oxidative protein folding in the cell. Cell(Cambridge,Mass.), 117, 2004
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1RRK
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![BU of 1rrk by Molmil](/molmil-images/mine/1rrk) | Crystal Structure Analysis of the Bb segment of Factor B | 分子名称: | COBALT (II) ION, Complement factor B, IODIDE ION, ... | 著者 | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | 登録日 | 2003-12-08 | 公開日 | 2004-12-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase. Mol.Cell, 14, 2004
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1RS0
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![BU of 1rs0 by Molmil](/molmil-images/mine/1rs0) | Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) | 分子名称: | Complement factor B, DIISOPROPYL PHOSPHONATE, IODIDE ION, ... | 著者 | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | 登録日 | 2003-12-09 | 公開日 | 2004-12-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase. Mol.Cell, 14, 2004
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1RT8
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![BU of 1rt8 by Molmil](/molmil-images/mine/1rt8) | CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN | 分子名称: | SULFATE ION, fimbrin | 著者 | Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C. | 登録日 | 2003-12-10 | 公開日 | 2004-06-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the actin crosslinking core of fimbrin. Structure, 12, 2004
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2WIZ
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![BU of 2wiz by Molmil](/molmil-images/mine/2wiz) | Crystal structures of Holliday junction resolvases from Archaeoglobus fulgidus bound to DNA substrate | 分子名称: | ARCHAEAL HJC, HALF-JUNCTION | 著者 | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | 登録日 | 2009-05-18 | 公開日 | 2009-05-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal Structures of Holliday Junction Resolvases from Archaeoglobus Fulgidus Bound to DNA Substrate To be Published
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2WMS
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![BU of 2wms by Molmil](/molmil-images/mine/2wms) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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