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3VBY
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BU of 3vby by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBW
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BU of 3vbw by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3R00
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BU of 3r00 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R01
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BU of 3r01 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7SZH
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BU of 7szh by Molmil
Structure of the Rieske Non-heme Iron Oxygenase SxtT with beta-saxitoxinol Bound
分子名称: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2021-11-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZE
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BU of 7sze by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA with Saxitoxin Bound
分子名称: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2021-11-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZG
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BU of 7szg by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA Pressurized with Xenon
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, FE (III) ION, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2021-11-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZF
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BU of 7szf by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound
分子名称: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2021-11-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
2IEQ
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BU of 2ieq by Molmil
Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
分子名称: ACETATE ION, SODIUM ION, Spike glycoprotein
著者Liu, J.
登録日2006-09-19
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
Biochemistry, 45, 2006
6IR8
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BU of 6ir8 by Molmil
Rice WRKY/DNA complex
分子名称: DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ...
著者Liu, J, Cheng, X, Wang, D.
登録日2018-11-12
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
5X56
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BU of 5x56 by Molmil
Crystal structure of PSB27 from Arabidopsis thaliana
分子名称: Photosystem II repair protein PSB27-H1, chloroplastic
著者Liu, J, Cheng, X.
登録日2017-02-15
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom.
Photosyn. Res., 136, 2018
6NE8
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BU of 6ne8 by Molmil
Solution Structure of the Thioredoxin-like Domain of Arabidopsis NCP (NUCLEAR CONTROL OF PEP ACTIVITY)
分子名称: Thioredoxin-like fold domain-containing protein MRL7L, chloroplastic
著者Liu, J, Chen, M, Zhou, P.
登録日2018-12-17
公開日2019-12-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NCP activates chloroplast transcription by controlling phytochrome-dependent dual nuclear and plastidial switches.
Nat Commun, 10, 2019
1DLB
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BU of 1dlb by Molmil
HELICAL INTERACTIONS IN THE HIV-1 GP41 CORE REVEALS STRUCTURAL BASIS FOR THE INHIBITORY ACTIVITY OF GP41 PEPTIDES
分子名称: HIV-1 ENVELOPE GLYCOPROTEIN GP41
著者Shu, W, Liu, J, Ji, H, Rading, L, Jiang, S, Lu, M.
登録日1999-12-09
公開日1999-12-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Helical interactions in the HIV-1 gp41 core reveal structural basis for the inhibitory activity of gp41 peptides.
Biochemistry, 39, 2000
4USG
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BU of 4usg by Molmil
Crystal structure of PC4 W89Y mutant complex with DNA
分子名称: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15
著者Zhao, Y, Liu, J.
登録日2014-07-08
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
6WIV
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BU of 6wiv by Molmil
Structure of human GABA(B) receptor in an inactive state
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R.
登録日2020-04-10
公開日2020-07-01
最終更新日2020-08-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
7SIM
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BU of 7sim by Molmil
Structure of positive allosteric modulator-free active human calcium-sensing receptor
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, CALCIUM ION, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIL
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BU of 7sil by Molmil
Structure of positive allosteric modulator-bound active human calcium-sensing receptor
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, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIN
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BU of 7sin by Molmil
Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor
分子名称: 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
8EFL
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SR17018-bound mu-opioid receptor-Gi complex
分子名称: 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFQ
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DAMGO-bound mu-opioid receptor-Gi complex
分子名称: DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EF6
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Morphine-bound mu-opioid receptor-Gi complex
分子名称: (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFO
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PZM21-bound mu-opioid receptor-Gi complex
分子名称: CHOLESTEROL, 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, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EF5
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Fentanyl-bound mu-opioid receptor-Gi complex
分子名称: CHOLESTEROL, 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, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFB
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BU of 8efb by Molmil
Oliceridine-bound mu-opioid receptor-Gi complex
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(i) subunit alpha-1, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
4RMZ
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Crystal Structure of IRAK-4
分子名称: 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide, Interleukin-1 receptor-associated kinase 4
著者Johnstone, S, Sudom, A, Liu, J, Walker, N.P, Wang, Z.
登録日2014-10-22
公開日2016-01-13
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper
To be Published

220760

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