4YL0
 
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | 分子名称: | 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | 著者 | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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3NU9
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7JSY
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3O0J
 | | PDE4B In complex with ligand an2898 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | | 著者 | Alley, M.R.K, Zhou, Y. | | 登録日 | 2010-07-19 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
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7ZHD
 | | Crystal structure of CtaZ in complex with Closthioamide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, Transcription activator effector binding, ... | | 著者 | Gude, F, Molloy, E.M, Horch, T, Dell, M, Dunbar, K.L, Krabbe, J, Groll, M, Hertweck, C. | | 登録日 | 2022-04-06 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Specialized Polythioamide-Binding Protein Confers Antibiotic Self-Resistance in Anaerobic Bacteria.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8HJ5
 | | Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16 | | 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(q) subunit alpha, ... | | 著者 | Gan, B, Yu, L.Y, Ren, R.B. | | 登録日 | 2022-11-22 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Mechanism of agonist-induced activation of the human itch receptor MRGPRX1.
Plos Biol., 21, 2023
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4ZMS
 | | Structure of the full-length response regulator spr1814 in complex with a phosphate analogue and B3C | | 分子名称: | 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | 著者 | Chi, Y.M, Park, A. | | 登録日 | 2015-05-04 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Biochem.Biophys.Res.Commun., 473, 2016
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7AVW
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8BC9
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 24 | | 分子名称: | 1,2-ETHANEDIOL, N-hydroxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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8BCC
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 39 | | 分子名称: | 1,2-ETHANEDIOL, 3-oxidanylbenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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4Z6Z
 | | Structure of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.52 Ang resolution | | 分子名称: | 3,4-dihydroxybenzenesulfonic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CALCIUM ION, ... | | 著者 | Kovaleva, E.G, Lipscomb, J.D. | | 登録日 | 2015-04-06 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
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8Z4S
 | | The crystal structure of a Hydroquinone Dioxygenase PaD with nonnatural substrate S6 | | 分子名称: | 2,3,5-trimethylbenzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T. | | 登録日 | 2024-04-17 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs.
Nat Commun, 15, 2024
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7KBH
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8BCF
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 78 | | 分子名称: | 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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8BCE
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 76 | | 分子名称: | 1,2-ETHANEDIOL, N-methoxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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8BCG
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 86 | | 分子名称: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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8BC8
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 18 | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-4-oxidanyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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8W9G
 | | Hepatitis B virus core protein Y132A mutant in complex with CBT-078 | | 分子名称: | 2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide, Capsid protein | | 著者 | Iwasaki, W, Katsura, K, Tomabechi, Y, Niwa, H, Ogawa, K, Kojima, S, Shirouzu, M. | | 登録日 | 2023-09-05 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Screening systems for the detection of hepatitis B virus replication and capsid assembly
To Be Published
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4Z6S
 | | Structure of H200Q variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.42 Ang resolution | | 分子名称: | 3,4-dihydroxybenzenesulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kovaleva, E.G, Lipscomb, J.D. | | 登録日 | 2015-04-06 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
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5JWV
 | | T4 Lysozyme L99A/M102Q with Ethylbenzene Bound | | 分子名称: | Endolysin, PHENYLETHANE | | 著者 | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | 登録日 | 2016-05-12 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
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8X7M
 | | CR-bound E46K alpha-synuclein fibrils | | 分子名称: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid, Alpha-synuclein | | 著者 | Liu, K.E, Tao, Y.Q, Li, D, Liu, C. | | 登録日 | 2023-11-24 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8X7L
 | | EB-bound E46K alpha-synuclein fibrils | | 分子名称: | 4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid, Alpha-synuclein | | 著者 | Liu, K.E, Tao, Y.Q, Li, D, Liu, C. | | 登録日 | 2023-11-24 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3QV7
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25. | | 分子名称: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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3QV6
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80. | | 分子名称: | 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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3QKL
 | | Spirochromane Akt Inhibitors | | 分子名称: | GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | | 著者 | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | | 登録日 | 2011-02-01 | | 公開日 | 2011-03-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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