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6GJG
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Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine
分子名称: 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Rowland, P.
登録日2018-05-16
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
ACS Omega, 3, 2018
5CS3
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The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS
分子名称: 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5LE5
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Native human 20S proteasome at 1.8 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-29
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
8FX1
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
著者Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
5LIR
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Structure of the SALTY Sigma cross-reacting protein 27A (SCRP-27A) from Salmonella typhimurium
分子名称: DI(HYDROXYETHYL)ETHER, Sigma cross-reacting protein 27A (SCRP-27A)
著者Schneider, S, Mandel, M, Sieber, S.A.
登録日2016-07-15
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response.
Angew.Chem.Int.Ed.Engl., 55, 2016
8CXP
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Characterisation of a Seneca Valley Virus Thermostable Mutant
分子名称: Capsid protein VP1, Capsid protein VP3, VP2, ...
著者Jayawardena, N, Bostina, M, Strauss, M.
登録日2022-05-22
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Characterisation of a Seneca Valley virus thermostable mutant.
Virology, 575, 2022
8GCM
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Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
分子名称: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDA
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Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
3K3A
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BU of 3k3a by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
6PG3
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WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
分子名称: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
8GDB
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Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PG5
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WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGB
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WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
分子名称: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
8FWY
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BU of 8fwy by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE
著者Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX3
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
著者Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8G6J
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mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state 2)
分子名称: (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone, (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 1,4-DIAMINOBUTANE, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-15
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
6IN2
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Crystal structure of BRD1 in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
8G5Z
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mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G60
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mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G61
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mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G5Y
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mRNA decoding in human is kinetically and structurally distinct from bacteria (IC state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
6O4Y
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Structure of HLA-A2:01 with peptide MM91
分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
著者Ying, G, Bitra, A, Zajonc, D.M.
登録日2019-03-01
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients.
Front Immunol, 10, 2019

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