1BJV
 
 | | BETA-TRYPSIN COMPLEXED WITH APPU | | 分子名称: | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | 登録日 | 1998-06-29 | | 公開日 | 1998-12-02 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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2HZB
 | | X-Ray Crystal Structure of Protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60. | | 分子名称: | Hypothetical UPF0052 protein BH3568 | | 著者 | Kuzin, A.P, Chen, Y, Seetharaman, J, Benach, J, Shastry, R, Conover, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-08-08 | | 公開日 | 2006-08-22 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-Ray structure of the hypothetical UPF0052 protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60.
To be Published
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1BJU
 | | BETA-TRYPSIN COMPLEXED WITH ACPU | | 分子名称: | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | 登録日 | 1998-06-29 | | 公開日 | 1998-12-02 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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2AOI
 | | Crystal structure analysis of HIV-1 protease with a substrate analog P1-P6 | | 分子名称: | PEPTIDE INHIBITOR, POL POLYPROTEIN, SULFATE ION | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | 登録日 | 2005-08-12 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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6ZFF
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6ZIO
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1XN4
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4KDY
 | | Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site | | 分子名称: | CITRIC ACID, GLUTATHIONE, GLYCEROL, ... | | 著者 | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-04-25 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site
To be Published
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6FYL
 | | X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A | | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 | | 著者 | Kallen, J. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6CCJ
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6FV6
 | | Monomer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | | 分子名称: | Aq128 | | 著者 | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | | 登録日 | 2018-03-01 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Monomer structure of Aq128 in the outward-facing state
To Be Published
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6FV8
 | | Dimer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | | 分子名称: | Aq128 | | 著者 | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | | 登録日 | 2018-03-01 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Dimer structure of the MATE family multidrug resistance transporter Aq128
in the outward-facing state
To Be Published
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2B0M
 | | Human dihydroorotate dehydrogenase bound to a novel inhibitor | | 分子名称: | 3-AMIDO-5-BIPHENYL-BENZOIC ACID, Dihydroorotate dehydrogenase, mitochondrial, ... | | 著者 | Hurt, D.E, Sutton, A.E, Clardy, J. | | 登録日 | 2005-09-14 | | 公開日 | 2005-09-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.
Bioorg.Med.Chem.Lett., 16, 2006
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2AOH
 | | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR | | 分子名称: | CHLORIDE ION, PEPTIDE INHIBITOR, POL POLYPROTEIN, ... | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | 登録日 | 2005-08-12 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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6G7L
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms state structure | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | 著者 | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | 登録日 | 2018-04-06 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
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1A5W
 | | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 | | 分子名称: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE | | 著者 | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | | 登録日 | 1998-02-18 | | 公開日 | 1998-05-27 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1ACA
 | | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A | | 分子名称: | ACYL-COENZYME A BINDING PROTEIN, COENZYME A, PALMITIC ACID | | 著者 | Kragelund, B.B, Andersen, K.V, Madsen, J.C, Knudsen, J, Poulsen, F.M. | | 登録日 | 1992-11-17 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A.
J.Mol.Biol., 230, 1993
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8AHO
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ... | | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2022-07-22 | | 公開日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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6GM2
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282D | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | 著者 | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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4KN6
 | | Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | | 分子名称: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | | 登録日 | 2013-05-08 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.728 Å) | | 主引用文献 | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir).
Mol.Pharmacol., 84, 2013
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4KAE
 | | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site | | 分子名称: | CITRIC ACID, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, GLYCEROL, ... | | 著者 | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-04-22 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site
To be Published
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1YOE
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2AOE
 | | crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2 | | 分子名称: | ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | 登録日 | 2005-08-12 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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8AQF
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | | 分子名称: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | | 著者 | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | | 登録日 | 2022-08-12 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
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1ZGL
 | | Crystal structure of 3A6 TCR bound to MBP/HLA-DR2a | | 分子名称: | HLA class II histocompatibility antigen, DR alpha chain, Myelin basic protein, ... | | 著者 | Li, Y, Huang, Y, Lue, J, Quandt, J.A, Martin, R, Mariuzza, R.A. | | 登録日 | 2005-04-21 | | 公開日 | 2005-10-18 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of a human autoimmune TCR bound to a myelin basic protein self-peptide and a multiple sclerosis-associated MHC class II molecule.
Embo J., 24, 2005
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