7H34
 
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1639162606 (A71EV2A-x0305) | | 分子名称: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-04 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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8TC9
 | | Human asparaginyl-tRNA synthetase bound to OSM-S-106 | | 分子名称: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... | | 著者 | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | 登録日 | 2023-06-30 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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7RHH
 | | Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openI state | | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1 | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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7RHG
 | | Cryo-EM structure of human rod CNGA1/B1 channel in cAMP-bound state | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1 | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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7RHJ
 | | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state | | 分子名称: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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7RHL
 | | Cryo-EM structure of human rod Apo CNGA1/B1 channel with CLZ coiled coil | | 分子名称: | Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1 | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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8TOB
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7RHI
 | | Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openII state | | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1 | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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7RHK
 | | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state | | 分子名称: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-07-17 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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8TOC
 | | Acinetobacter phage AP205 | | 分子名称: | Coat protein, Maturation protein, RNA (4269-MER) | | 著者 | Meng, R, Xing, Z, Chang, J, Zhang, J. | | 登録日 | 2023-08-03 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | | 主引用文献 | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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4LWF
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | | 分子名称: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 著者 | Li, J, Shi, F, Xiong, B, He, J. | | 登録日 | 2013-07-27 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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5I3A
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site | | 分子名称: | Tyrosinase, ZINC ION, benzene-1,4-diol | | 著者 | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | 登録日 | 2016-02-10 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
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5ETO
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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2ZJO
 | | Crystal structure of hepatitis C virus NS3 helicase with a novel inhibitor | | 分子名称: | Genome polyprotein, N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | | 著者 | Liaw, S.H, Chen, S.J, Hu, C.Y, Chi, W.K, Chu, I.D, Hwang, L.H, Chern, J.W, Chen, D.S. | | 登録日 | 2008-03-07 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Discovery of Triphenylmethane Derivatives as Novel Inhibitors of Hepatitis C Virus Helicase
To be Published
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7H0V
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013318-001 | | 分子名称: | 4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-(2-hydroxyethyl)benzene-1-sulfonamide, Papain-like protease nsp3 | | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | 登録日 | 2024-01-23 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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5ETT
 | | S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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5I13
 | | Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0 | | 分子名称: | 4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T. | | 登録日 | 2016-02-05 | | 公開日 | 2016-02-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit
Biochemistry, 55, 2016
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5I3B
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site | | 分子名称: | Tyrosinase, ZINC ION, benzene-1,4-diol | | 著者 | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | 登録日 | 2016-02-10 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
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5F2F
 | | Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | | 分子名称: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH | | 著者 | Kalas, V, Hultgren, S.J. | | 登録日 | 2015-12-01 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | | 主引用文献 | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI.
Chemmedchem, 11, 2016
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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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6RP3
 | | Truncated Norcoclaurine synthase with reaction intermediate mimic | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase | | 著者 | Keep, N.H, Roddan, R, Sula, A. | | 登録日 | 2019-05-13 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Acceptance and Kinetic Resolution of alpha-Methyl-Substituted Aldehydes by Norcoclaurine Synthases
Acs Catalysis, 2019
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360D
 | | STRUCTURE OF 2,5-BIS{[4-(N-ETHYLAMIDINO)PHENYL]}FURAN COMPLEXED TO 5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'. A MINOR GROOVE DRUG COMPLEX, SHOWING PATTERNS OF GROOVE HYDRATION | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium | | 著者 | Guerri, A, Simpson, I.J, Neidle, S. | | 登録日 | 1997-10-29 | | 公開日 | 1998-07-16 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Visualisation of extensive water ribbons and networks in a DNA minor-groove drug complex.
Nucleic Acids Res., 26, 1998
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7JT6
 | | Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 2 | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ... | | 著者 | Pederick, J.P, Bean, J.H, Bruning, J.B. | | 登録日 | 2020-08-17 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
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7JT5
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5IC3
 | | CAL PDZ domain with peptide and inhibitor | | 分子名称: | 4-[methyl(nitroso)amino]benzene-1,2-diol, Golgi-associated PDZ and coiled-coil motif-containing protein, HPV18E6 Peptide | | 著者 | Zhao, Y, Madden, D.R. | | 登録日 | 2016-02-22 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | CAL PDZ domain with peptide and inhibitor
To Be Published
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