4JQM
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-20 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JPU
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine | 分子名称: | BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-19 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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3H7F
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3HE2
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4JMW
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4JPT
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-19 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JPL
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | 分子名称: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-19 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQK
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | 分子名称: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-20 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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3CLB
| Structure of bifunctional TcDHFR-TS in complex with TMQ | 分子名称: | 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | 登録日 | 2008-03-18 | 公開日 | 2009-01-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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4JM6
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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1S53
| Thr46Ser Bacteriorhodopsin | 分子名称: | RETINAL, bacteriorhodopsin | 著者 | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | 登録日 | 2004-01-19 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing J.Am.Chem.Soc., 126, 2004
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1S52
| Thr24Val Bacteriorhodopsin | 分子名称: | RETINAL, bacteriorhodopsin | 著者 | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | 登録日 | 2004-01-19 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing J.Am.Chem.Soc., 126, 2004
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3CGL
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3CRV
| XPD_Helicase | 分子名称: | CITRATE ANION, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Fan, L, Arvai, A.S, Tainer, J.A. | 登録日 | 2008-04-07 | 公開日 | 2008-06-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations. Cell(Cambridge,Mass.), 133, 2008
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3CQS
| A 3'-OH, 2',5'-phosphodiester substitution in the hairpin ribozyme active site reveals similarities with protein ribonucleases | 分子名称: | 13-mer substrate strand with 3'-OH, 2',5'-phosphodiester covalently linking 5th and 6th nucleotides, 19-mer ribozyme strand, ... | 著者 | Torelli, A.T, Spitale, R.C, Krucinska, J, Wedekind, J.E. | 登録日 | 2008-04-03 | 公開日 | 2008-05-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Shared traits on the reaction coordinates of ribonuclease and an RNA enzyme Biochem.Biophys.Res.Commun., 371, 2008
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3D1H
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3DW7
| Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2656-SeCH3 modified | 分子名称: | Sarcin/Ricin Domain from E. Coli 23 S rRNA | 著者 | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | 登録日 | 2008-07-21 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | A fast selenium derivatization strategy for crystallization and phasing of RNA structures. Rna, 15, 2009
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5T4B
| Human DPP4 in complex with a ligand 34a | 分子名称: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scapin, G. | 登録日 | 2016-08-29 | 公開日 | 2016-10-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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5T4E
| Human DPP4 in complex with ligand 19a | 分子名称: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scapin, G. | 登録日 | 2016-08-29 | 公開日 | 2016-10-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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5T4F
| Human DPP4 in complex with ligand 34p | 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, 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, ... | 著者 | Scapin, G. | 登録日 | 2016-08-29 | 公開日 | 2016-10-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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5T4H
| Human DPP4 in complex with ligand 34n | 分子名称: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scapin, G. | 登録日 | 2016-08-29 | 公開日 | 2016-10-05 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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4TY0
| Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG | 分子名称: | ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ... | 著者 | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | 登録日 | 2014-07-07 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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4TXZ
| Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | 分子名称: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | 著者 | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | 登録日 | 2014-07-07 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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4UT5
| Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide | 分子名称: | CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ... | 著者 | Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B. | 登録日 | 2014-07-18 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa. Front.Microbiol., 7, 2016
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4ARQ
| Structure of the pesticin S89C, S285C double mutant | 分子名称: | MAGNESIUM ION, PESTICIN | 著者 | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | 登録日 | 2012-04-25 | 公開日 | 2012-05-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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