6CHO
 
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | 分子名称: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHM
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6CHP
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6CHL
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHQ
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6NCJ
 | | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | | 分子名称: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Nolte, R.T. | | 登録日 | 2018-12-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
J. Med. Chem., 62, 2019
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6MUL
 | | Murine PI3K delta kinsae domain - cpd 1 | | 分子名称: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Fischmann, T.O. | | 登録日 | 2018-10-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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6EI3
 | | Crystal structure of auto inhibited POT family peptide transporter | | 分子名称: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Proton-dependent oligopeptide transporter family protein | | 著者 | Newstead, S, Brinth, A, Vogeley, L, Caffrey, M. | | 登録日 | 2017-09-17 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Proton movement and coupling in the POT family of peptide transporters.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8WQW
 | | Cryo-EM structure of bsAb3 Fab-Gn-Gc complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein C, Glycoprotein N, ... | | 著者 | Wu, Y, Sun, J.Q. | | 登録日 | 2023-10-12 | | 公開日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSN
 | | Crystal structure of SFTSV Gn and antibody SF1 | | 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, Ab1-H, ... | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSP
 | | Crystal structure of SFTSV Gn and antibody SF5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ... | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSU
 | | Crystal structure of SFTSV Gc and antibody | | 分子名称: | Ab-H, Ab-L, Glycoprotein C | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5KGW
 | | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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5KGX
 | | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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5KQA
 | | Crystal structure of buckwheat glutaredoxin-glutathione complex | | 分子名称: | GLUTATHIONE, Glutaredoxin-glutathione complex | | 著者 | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
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7OFU
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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7OFS
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | | 分子名称: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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6GT6
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7OFT
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | | 分子名称: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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3NSQ
 | | Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron | | 分子名称: | 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha | | 著者 | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | 登録日 | 2010-07-02 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
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3NSP
 | | Crystal structure of tetrameric RXRalpha-LBD | | 分子名称: | Retinoid X receptor, alpha | | 著者 | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | 登録日 | 2010-07-02 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
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6M4G
 | | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | | 分子名称: | DNA (93-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | | 著者 | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | | 登録日 | 2020-03-06 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
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6M4H
 | | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | | 分子名称: | DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | | 著者 | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | | 登録日 | 2020-03-07 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
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3L9N
 | | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | | 分子名称: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
 | | Crystal structure of pka with compound 36 | | 分子名称: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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