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4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 4-(trifluoromethyl)benzoic acid, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (4-hydroxyphenyl)acetonitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-07
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 6-methyl-2H-chromen-2-one, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
5TGZ
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BU of 5tgz by Molmil
Crystal Structure of the Human Cannabinoid Receptor CB1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
Authors:Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2016-09-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB1.
Cell, 167, 2016
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
6M9T
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BU of 6m9t by Molmil
Crystal structure of EP3 receptor bound to misoprostol-FA
Descriptor: (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ...
Authors:Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C.
Deposit date:2018-08-24
Release date:2018-12-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
4JEK
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BU of 4jek by Molmil
Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Descriptor: Dibenzothiophene desulfurization enzyme C
Authors:Zhang, L, Duan, X.L, Zhou, D.M, Li, X.
Deposit date:2013-02-27
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Acta Crystallogr.,Sect.F, 69, 2013
6BD4
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BU of 6bd4 by Molmil
Crystal structure of human apo-Frizzled4 receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ...
Authors:Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F.
Deposit date:2017-10-21
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Frizzled 4 receptor in a ligand-free state.
Nature, 560, 2018
7WU3
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BU of 7wu3 by Molmil
Cryo-EM structure of the adhesion GPCR ADGRF1 in complex with miniGs
Descriptor: Adhesion G-protein coupled receptor F1, 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, ...
Authors:Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B.
Deposit date:2022-02-05
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
Nature, 604, 2022
7WU4
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BU of 7wu4 by Molmil
Cryo-EM structure of the adhesion GPCR ADGRF1 in complex with miniGi
Descriptor: Adhesion G-protein coupled receptor F1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B.
Deposit date:2022-02-05
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
Nature, 604, 2022
7WU5
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BU of 7wu5 by Molmil
Cryo-EM structure of the adhesion GPCR ADGRF1(H565A/T567A) in complex with miniGi
Descriptor: Adhesion G-protein coupled receptor F1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B.
Deposit date:2022-02-05
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
Nature, 604, 2022
7WU2
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BU of 7wu2 by Molmil
Cryo-EM structure of the adhesion GPCR ADGRD1 in complex with miniGs
Descriptor: Adhesion G-protein coupled receptor D1, 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, ...
Authors:Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B.
Deposit date:2022-02-05
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1.
Nature, 604, 2022
3S0Z
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BU of 3s0z by Molmil
Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1)
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Guo, Y, Wang, J, Niu, G.J, Shui, W.Q, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
Deposit date:2011-05-13
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural view of the antibiotic degradation enzyme NDM-1 from a superbug.
Protein Cell, 2011
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
Descriptor: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lou, Z.Y, Yan, L.M, Ma, Y.Y.
Deposit date:2011-11-05
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012

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