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4UX6
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
登録日2014-08-19
公開日2014-10-08
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4V0X
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The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684)
分子名称: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
登録日2014-09-18
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4V4D
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Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ...
著者Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H.
登録日2004-06-02
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
4UUJ
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POTASSIUM CHANNEL KCSA-FAB WITH TETRAHEXYLAMMONIUM
分子名称: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
著者Lenaeus, M.J, Burdette, D, Wagner, T, Focia, P.J, Gross, A.
登録日2014-07-29
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
4UVR
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Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51
分子名称: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ...
著者Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2014-08-08
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
4V5I
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Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4W9S
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2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease
分子名称: 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2014-08-27
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
4V19
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Structure of the large subunit of the mammalian mitoribosome, part 1 of 2
分子名称: MAGNESIUM ION, MITORIBOSOMAL 16S RRNA, MITORIBOSOMAL CP TRNA, ...
著者Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
登録日2014-09-25
公開日2014-10-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
4V5J
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Structure of the 70S ribosome bound to Release factor 2 and a substrate analog provides insights into catalysis of peptide release
分子名称: 16S Ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Jin, H, Kelley, A.C, Loakes, D, Ramakrishnan, V.
登録日2010-03-24
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the 70S ribosome bound to release factor 2 and a substrate analog provides insights into catalysis of peptide release.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
4UX5
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Structure of DNA complex of PCG2
分子名称: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
著者Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
登録日2014-08-19
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
4UXH
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Leishmania major Thymidine Kinase in complex with AP5dT
分子名称: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION
著者Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
登録日2014-08-22
公開日2015-05-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4UX9
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Crystal structure of JNK1 bound to a MKK7 docking motif
分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
登録日2014-08-20
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UYT
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X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae
分子名称: ACETATE ION, FLOCCULATION PROTEIN FLO11, SODIUM ION
著者Kraushaar, T, Veelders, M, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O.
登録日2014-09-03
公開日2015-08-12
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands.
Structure, 23, 2015
4V1M
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Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
4V58
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Crystal structure of fatty acid synthase from thermomyces lanuginosus at 3.1 angstrom resolution.
分子名称: FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE
著者Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N.
登録日2007-03-09
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling
Science, 316, 2007
6WRX
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Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain
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, CALCIUM ION, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRV
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Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ...
著者Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRW
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Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WC6
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Crystal structure of a truncated LSD1:CoREST in the presence of an LSD1-NT peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LSD1-NT peptide, Lysine-specific histone demethylase 1A, ...
著者Reiter, N.J, Zeng, D, Senanayaka, D.
登録日2020-03-29
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of structure and nucleosome binding within the N-terminus of lysine specific demethylase 1
To Be Published
4XDS
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Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel
分子名称: Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION
著者Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
登録日2014-12-19
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
3BXR
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Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
分子名称: (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide, Protease, SULFATE ION
著者Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
登録日2008-01-14
公開日2008-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
5WIT
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with pikromycin and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution
分子名称: (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S.
登録日2017-07-20
公開日2018-02-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
8WIU
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Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
3C5R
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Crystal Structure of the BARD1 Ankyrin Repeat Domain and Its Functional Consequences
分子名称: BRCA1-associated RING domain protein 1
著者Fox III, D, Le Trong, I, Stenkamp, R.E, Klevit, R.E.
登録日2008-02-01
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the BARD1 Ankyrin Repeat Domain and Its Functional Consequences.
J.Biol.Chem., 283, 2008
2QFC
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Crystal Structure of Bacillus thuringiensis PlcR complexed with PapR
分子名称: C-terminus pentapeptide from PapR protein, DI(HYDROXYETHYL)ETHER, PlcR protein
著者Declerck, N, Chaix, D, Rugani, N, Hoh, F, Arold, S.T.
登録日2007-06-27
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of PlcR: Insights into virulence regulation and evolution of quorum sensing in Gram-positive bacteria
Proc.Natl.Acad.Sci.Usa, 104, 2007

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