6SYP
 
 | | Human DHODH bound to inhibitor IPP/CNRS-A017 | | 分子名称: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-09-30 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor
Eur.J.Med.Chem., 208, 2020
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6MV4
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P. | | 登録日 | 2018-10-24 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
J. Thromb. Haemost., 17, 2019
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6YKE
 | | Crystal structure of YTHDC1 with compound DHU_DC1_038 | | 分子名称: | (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-04-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6MJX
 | | human cGAS catalytic domain bound with cGAMP | | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | 登録日 | 2018-09-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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5AA8
 | | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | | 分子名称: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2015-07-23 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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3MLE
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | | 分子名称: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-04-16 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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6YL9
 | | Crystal structure of YTHDC1 with compound DHU_DC1_085 | | 分子名称: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-04-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5A7S
 | | Crystal structure of human JMJD2A in complex with compound 44 | | 分子名称: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | 登録日 | 2015-07-09 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6SEZ
 | | X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 1 | | 分子名称: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | 著者 | Ferraro, G, Giorgio, A, Merlino, A. | | 登録日 | 2019-07-30 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
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6YKZ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_234 | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-04-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6MNP
 | | Crystal structure of KPC-2 with compound 6 | | 分子名称: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | 著者 | Akhtar, A, Chen, Y. | | 登録日 | 2018-10-02 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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8FKX
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1IO0
 | | CRYSTAL STRUCTURE OF TROPOMODULIN C-TERMINAL HALF | | 分子名称: | TROPOMODULIN, ZINC ION | | 著者 | Krieger, I, Kostyukova, A, Yamashita, A, Maeda, Y. | | 登録日 | 2000-12-14 | | 公開日 | 2002-11-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of the C-terminal half of tropomodulin and structural basis of actin filament pointed-end capping.
Biophys.J., 83, 2002
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8FKP
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1P6X
 | | Crystal structure of EHV4-TK complexed with Thy and SO4 | | 分子名称: | SULFATE ION, THYMIDINE, Thymidine kinase | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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5L6Q
 | | Refolded AL protein from cardiac amyloidosis | | 分子名称: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | | 登録日 | 2016-05-31 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6MOX
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5L8S
 | | The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism | | 分子名称: | Amino acyl peptidase, SULFATE ION | | 著者 | Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M. | | 登録日 | 2016-06-08 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
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5DXH
 | | p110alpha/p85alpha with compound 5 | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate | | 著者 | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | 登録日 | 2015-09-23 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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1OW4
 | | Crystal structure of a pheromone binding protein from the cockroach Leucophaea maderae in complex with the fluorescent reporter ANS (1-anilinonaphtalene-8-sulfonic acid), | | 分子名称: | 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, pheromone binding protein | | 著者 | Lartigue, A, Gruez, A, Spinelli, S, Riviere, S, Brossut, R, Tegoni, M, Cambillau, C. | | 登録日 | 2003-03-28 | | 公開日 | 2003-08-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
J.Biol.Chem., 278, 2003
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6SOS
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1P9Q
 | | Structure of a hypothetical protein AF0491 from Archaeoglobus fulgidus | | 分子名称: | Hypothetical protein AF0491 | | 著者 | Savchenko, A, Evdokimova, E, Skarina, T, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A. | | 登録日 | 2003-05-12 | | 公開日 | 2004-06-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Shwachman-Bodian-Diamond syndrome protein family is involved in RNA metabolism.
J.Biol.Chem., 280, 2005
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6MGW
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6SP4
 | | KEAP1 IN COMPLEX WITH COMPOUND 23 | | 分子名称: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | | 著者 | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | 登録日 | 2019-08-30 | | 公開日 | 2020-06-03 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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6MH8
 | | High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source | | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct | | 著者 | Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W. | | 登録日 | 2018-09-17 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
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