4CKZ
 
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant | | 分子名称: | 3-DEHYDROQUINATE DEHYDRATASE | | 著者 | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2014-01-10 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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1KIO
 | | SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI[L30R, K31M] | | 分子名称: | SERINE PROTEASE INHIBITOR I | | 著者 | Gaspari, Z, Patthy, A, Graf, L, Perczel, A. | | 登録日 | 2001-12-03 | | 公開日 | 2001-12-12 | | 最終更新日 | 2021-10-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
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4CZU
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4D28
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2W9O
 | | Solution structure of jerdostatin from Trimeresurus jerdonii | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-27 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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2W9U
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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2W9V
 | | Solution structure of jerdostatin from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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2W9W
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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1KK9
 | | CRYSTAL STRUCTURE OF E. COLI YCIO | | 分子名称: | SULFATE ION, probable translation factor yciO | | 著者 | Jia, J, Lunin, V.V, Sauve, V, Huang, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | 登録日 | 2001-12-06 | | 公開日 | 2002-12-11 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the YciO protein from Escherichia coli
PROTEINS: STRUCT.,FUNCT.,GENET., 49, 2002
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4CU2
 | | C-terminal domain of CTP1L endolysin mutant V195P that reduces autoproteolysis | | 分子名称: | ENDOLYSIN | | 著者 | Dunne, M, Mertens, H.D.T, Garefalaki, V, Jeffries, C.M, Thompson, A, Lemke, E.A, Svergun, D.I, Mayer, M.J, Narbad, A, Meijers, R. | | 登録日 | 2014-03-16 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The Cd27L and Ctp1L Endolysins Targeting Clostridia Contain a Built-in Trigger and Release Factor.
Plos Pathog., 10, 2014
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4COS
 | | Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION | | 著者 | Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P. | | 登録日 | 2014-01-30 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin.
Cell Rep, 17, 2016
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5LXC
 | | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | 著者 | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-20 | | 公開日 | 2016-10-26 | | 最終更新日 | 2017-01-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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3NJY
 | | Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | 著者 | King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | | 登録日 | 2010-06-18 | | 公開日 | 2010-12-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors
Plos One, 5, 2010
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4DB5
 | | Crystal structure of Rabbit GITRL | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tumor necrosis factor ligand superfamily member 18 | | 著者 | Kumar, P.R, Bhosle, R, Gizzi, A, Scott Glenn, A, Chowhury, S, Hillerich, B, Seidel, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | 登録日 | 2012-01-13 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.522 Å) | | 主引用文献 | Crystal structure of GITRL from Oryctolagus cuniculus
to be published
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2W7U
 | | SplA serine protease of Staphylococcus aureus (2.4A) | | 分子名称: | SERINE PROTEASE SPLA | | 著者 | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | | 登録日 | 2008-12-30 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus.
Biochem.J., 419, 2009
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6DLQ
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6DLT
 | | PRPP Riboswitch bound to PRPP, native structure | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, PRPP Riboswitch, ... | | 著者 | Peselis, A, Serganov, A. | | 登録日 | 2018-06-02 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
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6DXX
 | | Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | | 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, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | 著者 | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | 登録日 | 2018-07-01 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | 分子名称: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | 著者 | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | 登録日 | 2012-01-23 | | 公開日 | 2012-03-14 | | 最終更新日 | 2012-04-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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6DLS
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6DML
 | | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DWU
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6DY0
 | | Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726, in presence of Triton X-100 | | 分子名称: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | 著者 | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | 登録日 | 2018-07-01 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.014 Å) | | 主引用文献 | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6T9U
 | | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.067509 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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6T81
 | | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | | 分子名称: | AZIDE ION, BICINE, SODIUM ION, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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