5KKS
 
 | | ROCK 1 bound to azaindole thiazole inhibitor | | 分子名称: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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7U04
 | | IOMA class antibody ACS101 | | 分子名称: | GLYCEROL, IOMA class antibody ACS101 heavy chain, IOMA class antibody ACS101 light chain | | 著者 | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | 登録日 | 2022-02-17 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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7U0K
 | | IOMA class antibody Fab ACS124 | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain | | 著者 | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | 登録日 | 2022-02-18 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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7DQZ
 | | Crystal structure of SARS 3C-like protease in apo form | | 分子名称: | 3C-like proteinase | | 著者 | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | 登録日 | 2020-12-24 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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7EO7
 | | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | 著者 | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | 登録日 | 2021-04-21 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24916625 Å) | | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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7EO8
 | | Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | 著者 | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | 登録日 | 2021-04-21 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2808516 Å) | | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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5BUH
 | | Influenza PB2 bound to a hydroxymethyl azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-06-03 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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5CJX
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5UZK
 | | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | | 分子名称: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Jacobs, M.D, Brown, K. | | 登録日 | 2017-02-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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5UZJ
 | | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | | 分子名称: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2017-02-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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5VEB
 | | Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ... | | 著者 | Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T. | | 登録日 | 2017-04-04 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
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1ZN1
 | | Coordinates of RRF fitted into Cryo-EM map of the 70S post-termination complex | | 分子名称: | 30S ribosomal protein S12, Ribosome recycling factor, ribosomal 16S RNA, ... | | 著者 | Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J. | | 登録日 | 2005-05-11 | | 公開日 | 2005-06-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (14.1 Å) | | 主引用文献 | Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies.
Mol.Cell, 18, 2005
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8J5Z
 | | The cryo-EM structure of the TwOSC1 tetramer | | 分子名称: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | | 著者 | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | | 登録日 | 2023-04-24 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | | 主引用文献 | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5F79
 | | Influenza PB2 bound to an azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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5FA5
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3G9L
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3G9N
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3G90
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2GV9
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8XJ8
 | | The Cryo-EM structure of MPXV E5 C-terminal in complex with DNA | | 分子名称: | DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ... | | 著者 | Zhang, W, Liu, Y, Gao, H, Gan, J. | | 登録日 | 2023-12-20 | | 公開日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | | 主引用文献 | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 2024
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8XJ6
 | | The Cryo-EM structure of MPXV E5 apo conformation | | 分子名称: | AMP PHOSPHORAMIDATE, Monkeypox virus E5, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Zhang, W, Liu, Y, Gao, H, Gan, J. | | 登録日 | 2023-12-20 | | 公開日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 2024
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8XJ7
 | | The Cryo-EM structure of MPXV E5 in complex with DNA | | 分子名称: | DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ... | | 著者 | Zhang, W, Liu, Y, Gao, H, Gan, J. | | 登録日 | 2023-12-20 | | 公開日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 2024
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7EN0
 | | Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves | | 分子名称: | DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE | | 著者 | Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6MS7
 | | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 | | 分子名称: | PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | | 著者 | Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E. | | 登録日 | 2018-10-16 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
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3IO7
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | 分子名称: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | 登録日 | 2009-08-13 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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