8FLQ
 
 | | Human PTH1R in complex with PTH(1-34) and Gs | | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | | 登録日 | 2022-12-22 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
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8TO4
 | | EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 | | 分子名称: | (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Chitnis, S.P, Deng, M.Q, Pham, C.P, Heppner, D.E. | | 登録日 | 2023-08-02 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057
To Be Published
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8FLS
 | | Human PTH1R in complex with Abaloparatide and Gs | | 分子名称: | Abaloparatide, 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 | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | | 登録日 | 2022-12-22 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
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8FWN
 | | Crystal structure of SARS-CoV-2 papain-like protease C111S mutant | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | | 登録日 | 2023-01-23 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 papain-like protease C111S mutant
To Be Published
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6PHP
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7AWT
 | | E. coli NADH quinone oxidoreductase hydrophilic arm | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | 著者 | Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T. | | 登録日 | 2020-11-09 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
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7QUE
 | | The STK17A (DRAK1) Kinase Domain Bound to CKJB68 | | 分子名称: | Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | | 著者 | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
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7QUF
 | | The STK17A (DRAK1) Kinase Domain Bound to CK156 | | 分子名称: | Serine/threonine-protein kinase 17A, ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | | 著者 | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C, Hanke, T, Knapp, S. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
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8PJN
 | | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | | 分子名称: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-23 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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5IJD
 | | The crystal structure of mouse TLR4/MD-2/lipid A complex | | 分子名称: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5MKN
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8PMQ
 | | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | | 分子名称: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-29 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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8FO0
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to a partially cleaved SAM molecule | | 分子名称: | IRON/SULFUR CLUSTER, POTASSIUM ION, Pyruvate formate-lyase 1-activating enzyme, ... | | 著者 | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | 登録日 | 2022-12-29 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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8FOL
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM, alternate crystal form | | 分子名称: | CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | 著者 | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | 登録日 | 2022-12-31 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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7QCG
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone | | 分子名称: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | 登録日 | 2021-11-23 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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5MQP
 | | Glycoside hydrolase BT_1002 | | 分子名称: | CALCIUM ION, Glycoside hydrolase BT_1002 | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2016-12-20 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
To Be Published
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8FSI
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM | | 分子名称: | CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | 著者 | Moody, J.D, Galambas, A, Lawrence, C.M, Broderick, J.B. | | 登録日 | 2023-01-10 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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7NTO
 | | The structure of RRM domain of human TRMT2A at 1.23 A resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | 著者 | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | | 登録日 | 2021-03-10 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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5MUW
 | | Atomic structure of P4 packaging enzyme fitted into a localized reconstruction of bacteriophage phi6 vertex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4 | | 著者 | Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T. | | 登録日 | 2017-01-14 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (9.1 Å) | | 主引用文献 | Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
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6VAW
 | | Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS) | | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | 著者 | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | | 登録日 | 2019-12-18 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
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6SXB
 | | XPF-ERCC1 Cryo-EM Structure, DNA-Bound form | | 分子名称: | DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ... | | 著者 | Jones, M.L, Briggs, D.C, McDonald, N.Q. | | 登録日 | 2019-09-25 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (7.9 Å) | | 主引用文献 | Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
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4Y0I
 | | GABA-aminotransferase inactivated by conformationally-restricted inactivator | | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | | 著者 | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | | 登録日 | 2015-02-06 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.662 Å) | | 主引用文献 | GABA-aminotransferase inactivated by conformationally-restricted inactivator
To Be Published
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6P0I
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ... | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0L
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | 分子名称: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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