8QVW
 
 | | Cryo-EM structure of the peptide binding domain of human SRP68/72 | | 分子名称: | Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72 | | 著者 | Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F. | | 登録日 | 2023-10-18 | | 公開日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of nPBD of human SRP68/72
To Be Published
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | 分子名称: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | 著者 | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | 登録日 | 2012-05-03 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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5JOM
 | | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | | 登録日 | 2016-05-02 | | 公開日 | 2016-08-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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8JMT
 | | Structure of the adhesion GPCR ADGRL3 in the apo state | | 分子名称: | Adhesion G protein-coupled receptor L3,Soluble cytochrome b562 | | 著者 | Tao, Y, Guo, Q, He, B, Zhong, Y. | | 登録日 | 2023-06-05 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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7DMC
 | | Dipyridamole binds to the N-terminal domain of human Hsp90A | | 分子名称: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | | 著者 | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | | 登録日 | 2020-12-03 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
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8D4Y
 | | C-terminal SANT-SLIDE domain of human Chromodomain-helicase-DNA-binding protein 4 (CHD4) | | 分子名称: | Chromodomain-helicase-DNA-binding protein 4 | | 著者 | Moghaddas Sani, H, Deshpande, C.N, Panjikar, S, Patel, K, Mackay, J.P. | | 登録日 | 2022-06-03 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The role of auxiliary domains in modulating CHD4 activity suggests mechanistic commonality between enzyme families.
Nat Commun, 13, 2022
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7WGR
 | | Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase (E1) component of the human alpha-ketoglutarate (2-oxoglutarate) dehydrogenase complex | | 分子名称: | 2-oxoglutarate dehydrogenase, mitochondrial, CALCIUM ION, ... | | 著者 | Yu, X, Yang, W, Zhong, Y.H, Ma, X.M, Gao, Y.Z. | | 登録日 | 2021-12-28 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Structural basis for the activity and regulation of human alpha-ketoglutarate dehydrogenase revealed by Cryo-EM
Biochem.Biophys.Res.Commun., 602, 2022
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8Y7L
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6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | 分子名称: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | 登録日 | 2018-05-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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6DFN
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | | 分子名称: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | 登録日 | 2018-05-15 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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6WOK
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | | 分子名称: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.309 Å) | | 主引用文献 | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020
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8JJ8
 | | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist | | 分子名称: | Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide | | 著者 | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | 登録日 | 2023-05-29 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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8JJL
 | | cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist | | 分子名称: | Beta-2 adrenergic receptor,Soluble cytochrome b562, Olodaterol | | 著者 | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | 登録日 | 2023-05-30 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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8J7E
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8JJO
 | | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist | | 分子名称: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562 | | 著者 | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | 登録日 | 2023-05-31 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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7MSA
 | | GDC-9545 in complex with estrogen receptor alpha | | 分子名称: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | | 登録日 | 2021-05-10 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.
J.Med.Chem., 64, 2021
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2AX5
 | | Solution Structure of Urm1 from Saccharomyces Cerevisiae | | 分子名称: | Hypothetical 11.0 kDa protein in FAA3-MAS3 intergenic region | | 著者 | Xu, J, Huang, H, Zhang, J, Wu, J, Shi, Y. | | 登録日 | 2005-09-03 | | 公開日 | 2006-06-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Urm1 and its implications for the origin of protein modifiers.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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8EXO
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXU
 | | Crystal structure of PI3K-alpha in complex with compound 30 | | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXV
 | | Crystal structure of PI3K-alpha in complex with compound 32 | | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXL
 | | Crystal structure of PI3K-alpha in complex with taselisib | | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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6BI6
 | | Solution NMR structure of uncharacterized protein YejG | | 分子名称: | Uncharacterized protein YejG | | 著者 | Mohanty, B, Finn, T.J, Macindoe, I, Zhong, J, Patrick, W.M, Mackay, J.P. | | 登録日 | 2017-11-01 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The uncharacterized bacterial protein YejG has the same architecture as domain III of elongation factor G.
Proteins, 87, 2019
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1Z09
 | | Solution structure of km23 | | 分子名称: | Dynein light chain 2A, cytoplasmic | | 著者 | Ilangovan, U, Ding, W, Mulder, K, Hinck, A.P, Zuniga, J, Trbovich, J.A, Demeler, B, Groppe, J.C. | | 登録日 | 2005-03-01 | | 公開日 | 2005-08-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Dynamics of the Homodimeric Dynein Light Chain km23.
J.Mol.Biol., 352 (2), 2005
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5IME
 | | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | | 分子名称: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | 著者 | Li, D, Wang, W. | | 登録日 | 2016-03-06 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | | 主引用文献 | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
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5DFP
 | | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | | 分子名称: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | | 著者 | Maksimoska, J, Marmorstein, R, Wang, W. | | 登録日 | 2015-08-27 | | 公開日 | 2016-01-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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