PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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2IIT	Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor 分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Scapin, G, Biftu, T, Weber, A.E. 登録日 2006-09-28 公開日 2006-11-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
1OO5	Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs 分子名称: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase 著者 Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. 登録日 2003-03-03 公開日 2003-04-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
3VHU	Mineralocorticoid receptor ligand-binding domain with spironolactone 分子名称: Mineralocorticoid receptor, SPIRONOLACTONE 著者 Sogabe, S, Habuka, N. 登録日 2011-09-07 公開日 2011-12-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists J.Med.Chem., 54, 2011
2IIV	Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor 分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-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, Weber, A.E, Biftu, T. 登録日 2006-09-28 公開日 2006-11-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
4Q6R	Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile 分子名称: 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile, GLYCEROL, PHOSPHATE ION, ... 著者 Srinivas, H. 登録日 2014-04-23 公開日 2014-05-21 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis. J.Med.Chem., 57, 2014
8AOQ	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a 分子名称: (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION 著者 Maiwald, S, Heim, C, Hartmann, M.D. 登録日 2022-08-08 公開日 2023-01-11 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.088 Å) 主引用文献 Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines. Eur.J.Med.Chem., 246, 2023
8AOP	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r 分子名称: (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ... 著者 Maiwald, S, Heim, C, Hartmann, M.D. 登録日 2022-08-08 公開日 2023-01-11 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.944 Å) 主引用文献 Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines. Eur.J.Med.Chem., 246, 2023
5JFR	Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery 分子名称: 1,2-ETHANEDIOL, 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole, DIMETHYL SULFOXIDE, ... 著者 Dougan, D.R, Lawson, J.D. 登録日 2016-04-19 公開日 2016-05-25 最終更新日 2016-06-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2. Bioorg.Med.Chem.Lett., 26, 2016
4XS2	Irak4-inhibitor co-structure 分子名称: (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4 著者 Fischmann, T.O. 登録日 2015-01-21 公開日 2015-05-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. Bioorg.Med.Chem.Lett., 25, 2015
1FAV	THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE 分子名称: HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN) 著者 Zhou, G, Ferrer, M, Chopra, R, Strassmaier, T, Weissenhorn, W, Skehel, J.J, Oprian, D, Schreiber, S.L, Harrison, S.C, Wiley, D.C. 登録日 2000-07-13 公開日 2000-08-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core. Bioorg.Med.Chem., 8, 2000
8APU	Crystal Structure of H. influenzae TrmD in complex with Compound 14 分子名称: 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase 著者 Hall, G, Cowan, R, Carr, M.D. 登録日 2022-08-10 公開日 2023-06-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors. Bioorg.Med.Chem.Lett., 90, 2023
8APT	Crystal Structure of H. influenzae TrmD in complex with Compound 13 分子名称: 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase 著者 Hall, G, Cowan, R, Carr, M.D. 登録日 2022-08-10 公開日 2023-06-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors. Bioorg.Med.Chem.Lett., 90, 2023
8APV	Crystal Structure of H. influenzae TrmD in complex with Compound 27 分子名称: 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase 著者 Hall, G, Cowan, R, Carr, M.D. 登録日 2022-08-10 公開日 2023-06-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors. Bioorg.Med.Chem.Lett., 90, 2023
8APW	Crystal Structure of H. influenzae TrmD in complex with Compound 30 分子名称: 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase 著者 Hall, G, Cowan, R, Carr, M.D. 登録日 2022-08-10 公開日 2023-06-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors. Bioorg.Med.Chem.Lett., 90, 2023
5JHU	Potent, Reversible MetAP2 Inhibitors via FBDD 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ... 著者 Dougan, D.R. 登録日 2016-04-21 公開日 2016-05-25 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
4ZX6	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
4ZW8	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-19 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
2JID	Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine 分子名称: (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4 著者 Hennig, M, Stihle, M, Luebbers, T, Thoma, R. 登録日 2007-02-28 公開日 2008-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 1,3-Disubstituted 4-Aminopiperidines as Useful Tools in the Optimization of the 2-Aminobenzo[A]Quinolizine Dipeptidyl Peptidase Iv Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
1CNL	ALPHA-CONOTOXIN IMI 分子名称: PROTEIN (ALPHA-CONOTOXIN IMI) 著者 Gehrmann, J, Daly, N.L, Craik, D.J. 登録日 1999-05-20 公開日 1999-05-27 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Solution structure of alpha-conotoxin ImI by 1H nuclear magnetic resonance. J.Med.Chem., 42, 1999
3MFW	Crystal structure of human arginase I in complex with L-2-aminohistidine and sulphate 分子名称: 2-amino-L-histidine, Arginase-1, MANGANESE (II) ION, ... 著者 Di Costanzo, L, Christianson, D.W. 登録日 2010-04-04 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I. J.Med.Chem., 53, 2010
5JI6	Potent, Reversible MetAP2 Inhibitors via FBDD 分子名称: 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ... 著者 Dougan, D.R, Lawson, J.D. 登録日 2016-04-21 公開日 2016-05-25 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
1OON	Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217 分子名称: 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase 著者 Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. 登録日 2003-03-04 公開日 2003-04-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
4EDZ	Crystal structure of hH-PGDS with water displacing inhibitor 分子名称: 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... 著者 Day, J.E, Thorarensen, A, Trujillo, J.I. 登録日 2012-03-27 公開日 2012-05-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
4ZW7	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-19 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
7LC4	Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 分子名称: 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI 著者 van den Akker, F, Kumar, V. 登録日 2021-01-09 公開日 2021-04-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp. Eur.J.Med.Chem., 220, 2021

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