5A0C
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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2YMT
| gamma 2 adaptin EAR domain crystal structure with phage peptide GEEWGPWV | 分子名称: | 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, PHAGE DISPLAY DERIVED GAMMA 2 ADAPTIN EAR DOMAIN BINDING PEPTIDE | 著者 | Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N. | 登録日 | 2012-10-10 | 公開日 | 2013-07-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry. Nat.Chem.Biol., 9, 2013
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2YMA
| X-ray structure of the Yos9 dimerization domain | 分子名称: | PROTEIN OS-9 HOMOLOG | 著者 | Hanna, J, Schuetz, A, Zimmermann, F, Behlke, J, Sommer, T, Heinemann, U. | 登録日 | 2011-06-07 | 公開日 | 2012-01-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | 主引用文献 | Structural and Biochemical Basis of Yos9 Protein Dimerization and Possible Contribution to Self-Association of 3-Hydroxy-3-Methylglutaryl-Coenzyme a Reductase Degradation Ubiquitin-Ligase Complex. J.Biol.Chem., 287, 2012
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4GVJ
| Tyk2 (JH1) in complex with adenosine di-phosphate | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | 登録日 | 2012-08-30 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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7L4H
| Crystal structure of the DRM2-CTG DNA complex | 分子名称: | DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*TP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*AP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | 著者 | Fang, J, Song, J. | 登録日 | 2020-12-19 | 公開日 | 2021-08-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv, 7, 2021
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7L4C
| Crystal structure of the DRM2-CTT DNA complex | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | 著者 | Fang, J, Song, J. | 登録日 | 2020-12-18 | 公開日 | 2021-08-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv, 7, 2021
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7L4K
| Crystal structure of the DRM2-CCG DNA complex | 分子名称: | DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | 著者 | Fang, J, Song, J. | 登録日 | 2020-12-19 | 公開日 | 2021-08-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv, 7, 2021
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2R96
| Crystal structure of E. coli WrbA in complex with FMN | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | 著者 | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | 登録日 | 2007-09-12 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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3IZ4
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6TH2
| Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | 登録日 | 2019-11-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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2XRN
| Crystal structure of TtgV | 分子名称: | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGV | 著者 | Lu, D, Fillet, S, Meng, C, Alguel, Y, Kloppsteck, P, Bergeron, J, Krell, T, Gallegos, M.-T, Ramos, J, Zhang, X. | 登録日 | 2010-09-17 | 公開日 | 2010-12-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structure of Ttgv in Complex with its DNA Operator Reveals a General Model for Cooperative DNA Binding of Tetrameric Gene Regulators. Genes Dev., 24, 2010
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2R97
| Crystal structure of E. coli WrbA in complex with FMN | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | 著者 | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | 登録日 | 2007-09-12 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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2YAK
| Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV) | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | 著者 | Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E. | 登録日 | 2011-02-23 | 公開日 | 2011-04-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors. J.Am.Chem.Soc., 133, 2011
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5LPY
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4YBF
| Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution | 分子名称: | Candidapepsin-2, DI(HYDROXYETHYL)ETHER | 著者 | Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. | 登録日 | 2015-02-18 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
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5BPO
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5A09
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A6R
| Crystal structure of the BTB domain of human KCTD17 | 分子名称: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | 著者 | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2015-06-30 | 公開日 | 2015-11-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5A78
| Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved | 分子名称: | 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ... | 著者 | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | 登録日 | 2015-07-03 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification J.Biol.Chem., 290, 2015
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5DOK
| Crystal structure of Tetrahymena p45C | 分子名称: | MAGNESIUM ION, Telomerase associated protein p45 | 著者 | Wan, B, Tang, T, Wu, J, Lei, M. | 登録日 | 2015-09-11 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex Nat.Struct.Mol.Biol., 22, 2015
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5AEN
| Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine | 分子名称: | IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ... | 著者 | Moser, D, Wittmann, S.K, Kramer, J, Blocher, R, Achenbach, J, Pogoryelov, D, Proschak, E. | 登録日 | 2015-01-06 | 公開日 | 2015-02-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.864 Å) | 主引用文献 | Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H. J.Chem.Inf.Model., 55, 2015
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1U8G
| Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | 分子名称: | PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | 著者 | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J. | 登録日 | 2004-08-06 | 公開日 | 2004-11-02 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex. Acta Crystallogr.,Sect.D, 60, 2004
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5AC9
| Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | 分子名称: | VP1, VP2, VP3, ... | 著者 | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | 登録日 | 2015-08-14 | 公開日 | 2015-09-23 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design Nat.Struct.Mol.Biol., 22, 2015
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5AJC
| X-ray structure of RSL lectin in complex with sialyl lewis X tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | 著者 | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | 登録日 | 2015-02-20 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins Acs Chem.Biol., 11, 2016
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3BM9
| Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | 分子名称: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | 著者 | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | 登録日 | 2007-12-12 | 公開日 | 2008-07-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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