PDB: 105044 件ウェブページステータス検索Chemie searchBIRD

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3UQV	Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 分子名称: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-11-21 公開日 2012-11-21 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
3UY9	Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 分子名称: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-12-06 公開日 2012-12-12 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3.22 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
5T04	STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR 分子名称: 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ... 著者 Krumm, B, Botos, I, Grisshammer, R. 登録日 2016-08-15 公開日 2016-12-21 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure and dynamics of a constitutively active neurotensin receptor. Sci Rep, 6, 2016
1CNS	CRYSTAL STRUCTURE OF CHITINASE AT 1.91A RESOLUTION 分子名称: CHITINASE 著者 Song, H.K, Suh, S.W. 登録日 1995-06-24 公開日 1996-01-29 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Refined structure of the chitinase from barley seeds at 2.0 a resolution. Acta Crystallogr.,Sect.D, 52, 1996
4BKQ	Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 著者 Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. 登録日 2013-04-29 公開日 2014-05-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
5TOG	Room temperature structure of ubiquitin variant u7ub25.2540 分子名称: Polyubiquitin-B, SULFATE ION 著者 Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. 登録日 2016-10-17 公開日 2017-05-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
5SXY	The solution NMR structure for the PqqD truncation of Methylobacterium extorquens PqqCD representing a functional and stand-alone ribosomally synthesized and post-translational modified (RiPP) recognition element (RRE) 分子名称: Bifunctional coenzyme PQQ synthesis protein C/D 著者 Evans, R.L, Xia, Y, Wilmot, C.M. 登録日 2016-08-10 公開日 2017-05-24 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Nuclear Magnetic Resonance Structure and Binding Studies of PqqD, a Chaperone Required in the Biosynthesis of the Bacterial Dehydrogenase Cofactor Pyrroloquinoline Quinone. Biochemistry, 56, 2017
3ARU	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with PENTOXIFYLLINE 分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARX	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Propentofylline 分子名称: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
2NTG	Structure of Spin-labeled T4 Lysozyme Mutant T115R7 分子名称: BETA-MERCAPTOETHANOL, Lysozyme, S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate 著者 Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. 登録日 2006-11-07 公開日 2007-06-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme. Protein Sci., 16, 2007
3AU9	Crystal structure of the quaternary complex-1 of an isomerase 分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CALCIUM ION, ... 著者 Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. 登録日 2011-02-01 公開日 2011-08-10 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum Sci Rep, 1, 2011
3ARP	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with DEQUALINIUM 分子名称: Chitinase A, DEQUALINIUM, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3AS1	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine 分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARR	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with PENTOXIFYLLINE 分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3AS2	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Propentofylline 分子名称: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ART	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with DEQUALINIUM 分子名称: Chitinase A, DEQUALINIUM, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARO	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure 分子名称: Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
5SV6	Crystal structure of MxaJ from Methlophaga aminisulfidivorans MPT 分子名称: BROMIDE ION, Extracellular solute-binding protein, family 3 著者 Choi, J.M, Lee, S.H. 登録日 2016-08-04 公開日 2017-07-12 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 MxaJ structure reveals a periplasmic binding protein-like architecture with unique secondary structural elements Proteins, 85, 2017
3UQO	Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 分子名称: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-11-21 公開日 2012-11-21 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
1HZH	CRYSTAL STRUCTURE OF THE INTACT HUMAN IGG B12 WITH BROAD AND POTENT ACTIVITY AGAINST PRIMARY HIV-1 ISOLATES: A TEMPLATE FOR HIV VACCINE DESIGN 分子名称: IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN,Uncharacterized protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Saphire, E.O, Burton, D.R, Wilson, I.A. 登録日 2001-01-24 公開日 2001-08-15 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of a neutralizing human IGG against HIV-1: a template for vaccine design. Science, 293, 2001
3C45	Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor 分子名称: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 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, Edmondson, S.D, Weber, A.E. 登録日 2008-01-29 公開日 2008-04-22 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008
4CEX	1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease 分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ... 著者 Benini, S, Cianci, M, Ciurli, S. 登録日 2013-11-12 公開日 2014-08-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.589 Å) 主引用文献 Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics. J.Biol.Inorg.Chem., 19, 2014
3C6T	Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 分子名称: 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase 著者 Yan, Y, Prasad, S. 登録日 2008-02-05 公開日 2008-04-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
2ZEC	Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase 分子名称: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 著者 Spurlino, J.C, Lewandowski, F, Milligan, C. 登録日 2007-12-08 公開日 2008-12-09 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.059 Å) 主引用文献 Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
3U0X	Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382 分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ... 著者 Palcic, M.M, Jorgensen, R. 登録日 2011-09-29 公開日 2012-10-24 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding To be Published

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