7JXT
 
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | 分子名称: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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7ZH8
 | | DYRK1a in Complex with a Bromo-Triazolo-Pyridine | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | 著者 | Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M. | | 登録日 | 2022-04-05 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
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6FAK
 | | Human afamin orthorhombic crystal form by controlled hydration | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rupp, B, Naschberger, A, Bowler, M.W. | | 登録日 | 2017-12-15 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
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6FHC
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3K0K
 | | Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus. | | 分子名称: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | | 著者 | Campbell, S.J, Edwards, R.A, Glover, J.N. | | 登録日 | 2009-09-24 | | 公開日 | 2010-03-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
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5FUL
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with SAH | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-01-27 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
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5FLV
 | | Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region | | 分子名称: | 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3', 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3', HOMEOBOX PROTEIN NKX-2.5, ... | | 著者 | Stirnimann, C.U, Glatt, S, Mueller, C.W. | | 登録日 | 2015-10-28 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | | 主引用文献 | Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis.
Cell(Cambridge,Mass.), 164, 2016
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7WF0
 | | The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nervonic acid | | 分子名称: | (15E)-TETRACOS-15-ENOIC ACID, Fatty acid-binding protein, heart, ... | | 著者 | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2021-12-24 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.83 Å) | | 主引用文献 | The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nervonic acid
To Be Published
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3ODP
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7K0F
 | | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | 分子名称: | 3C-like proteinase, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5AII
 | | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | 著者 | Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D. | | 登録日 | 2015-02-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
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5O0A
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (Fragment 1) | | 分子名称: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | 登録日 | 2017-05-16 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.805 Å) | | 主引用文献 | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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5O0F
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(indol-3-yl)propanoic acid (Fragment 5) | | 分子名称: | INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | 登録日 | 2017-05-16 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | | 主引用文献 | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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1SA0
 | | TUBULIN-COLCHICINE: STATHMIN-LIKE DOMAIN COMPLEX | | 分子名称: | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Ravelli, R.B, Gigant, B, Curmi, P.A, Jourdain, I, Lachkar, S, Sobel, A, Knossow, M. | | 登録日 | 2004-02-06 | | 公開日 | 2004-03-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain.
Nature, 428, 2004
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6MJP
 | | LptB(E163Q)FGC from Vibrio cholerae | | 分子名称: | 2-(2-ETHOXYETHOXY)ETHANOL, 6-cyclohexylhexyl beta-D-glucopyranoside, ABC transporter ATP-binding protein, ... | | 著者 | Owens, T.W, Kahne, D, Kruse, A.C. | | 登録日 | 2018-09-21 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural basis of unidirectional export of lipopolysaccharide to the cell surface.
Nature, 567, 2019
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6FFD
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7JWF
 | | Crystal structure of PdGH110B D344N in complex with alpha-(1,3)-galactobiose | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2020-08-25 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.187 Å) | | 主引用文献 | The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
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7K4V
 | | Crystal structure of Kemp Eliminase HG3.17 | | 分子名称: | Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL | | 著者 | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | 登録日 | 2020-09-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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5EUU
 | | Rat prestin STAS domain in complex with chloride | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Prestin,Prestin, ... | | 著者 | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | | 登録日 | 2015-11-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
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5EUS
 | | Rat prestin STAS domain in complex with bromide | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, Prestin,Rat prestin STAS domain, ... | | 著者 | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | | 登録日 | 2015-11-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
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5EUW
 | | Rat prestin STAS domain in complex with nitrate | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NITRATE ION, ... | | 著者 | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | | 登録日 | 2015-11-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
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5EUX
 | | Rat prestin STAS domain in complex with thiocyanate | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prestin,Prestin, ... | | 著者 | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | | 登録日 | 2015-11-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.038 Å) | | 主引用文献 | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
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7Z7V
 | | Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open-ready state | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | | 著者 | Kravchuk, V, Kampjut, D, Sazanov, L. | | 登録日 | 2022-03-16 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.29 Å) | | 主引用文献 | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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1XSC
 | | Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bis(5'-nucleosyl)-tetraphosphatase | | 著者 | Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. | | 登録日 | 2004-10-18 | | 公開日 | 2004-12-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase
J.Biol.Chem., 280, 2005
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5DH5
 | | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-08-29 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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