6HL4
 
 | | wild-type NuoEF from Aquifex aeolicus - reduced form | | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | | 登録日 | 2018-09-10 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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1W9M
 | | AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal | | 分子名称: | FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER | | 著者 | Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F. | | 登録日 | 2004-10-14 | | 公開日 | 2005-02-04 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution
Acta Crystallogr.,Sect.D, 64, 2008
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | 分子名称: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | 著者 | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | 登録日 | 2016-05-18 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1 Å) | | 主引用文献 | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1VZ2
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6SHQ
 | | Escherichia coli AGPase in complex with AMP. Symmetry C2 | | 分子名称: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase | | 著者 | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | 登録日 | 2019-08-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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3JSX
 | | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | | 分子名称: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | 著者 | Dunstan, M.S, Levy, C, Leys, D. | | 登録日 | 2009-09-11 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
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6SI8
 | | Escherichia coli AGPase in complex with AMP. | | 分子名称: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase | | 著者 | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | 登録日 | 2019-08-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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6FCN
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4PL4
 | | Crystal structure of murine IRE1 in complex with OICR464 inhibitor | | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | | 登録日 | 2014-05-16 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
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1VZ3
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6HPX
 | | Crystal structure of ENL (MLLT1) in complex with compound 19 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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8RKE
 | | Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | 登録日 | 2023-12-25 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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5T68
 | | Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine | | 分子名称: | N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | | 著者 | Argiriadi, M.A, Hoemann, M, Wilson, N, Banach, D, Burchat, A, Calderwood, D, Clapham, B, Cox, P, Duignan, D.B, Konopacki, D, Somal, G, Vasudevan, A. | | 登録日 | 2016-09-01 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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5IA0
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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3ZM6
 | | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | | 分子名称: | N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | | 著者 | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | | 登録日 | 2013-02-05 | | 公開日 | 2013-07-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
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3ZKX
 | | TERNARY BACE2 XAPERONE COMPLEX | | 分子名称: | BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A. | | 登録日 | 2013-01-25 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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8ACT
 | | structure of the human beta-cardiac myosin folded-back off state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light chain 3, ... | | 著者 | Grinzato, A, Kandiah, E, Robert-Paganin, J, Auguin, D, Kikuti, C, Nandwani, N, Moussaoui, D, Pathak, D, Ruppel, K.M, Spudich, J.A, Houdusse, A. | | 登録日 | 2022-07-06 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structure of the folded-back state of human beta-cardiac myosin.
Nat Commun, 14, 2023
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5JQT
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | | 分子名称: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | | 著者 | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | 登録日 | 2016-05-05 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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6I82
 | | Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M. | | 登録日 | 2018-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
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6IAC
 | | Portal and tail of native bacteriophage P68 | | 分子名称: | Lower collar protein, Minor structural protein, Portal protein, ... | | 著者 | Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P. | | 登録日 | 2018-11-26 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
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6IAW
 | | Structure of head fiber and inner core protein gp22 of native bacteriophage P68 | | 分子名称: | Arstotzka protein, Head fiber, Major head protein, ... | | 著者 | Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P. | | 登録日 | 2018-11-27 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
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6JL7
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6ZV9
 | | Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | | 分子名称: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | | 著者 | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | | 登録日 | 2020-07-24 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | 分子名称: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | 著者 | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | 登録日 | 2020-09-04 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6HL3
 | | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | | 登録日 | 2018-09-10 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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