5J5T
 
 | | GLK co-crystal structure with aminopyrrolopyrimidine inhibitor | | Descriptor: | 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3 | | Authors: | Silvian, L.F, Marcotte, D. | | Deposit date: | 2016-04-03 | | Release date: | 2016-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017
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4IQK
 | | Crystal structure of cpd 16 bound to Keap1 Kelch domain | | Descriptor: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-11 | | Release date: | 2013-05-15 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | Descriptor: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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7LLY
 | | Oxyntomodulin-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein | | Descriptor: | Glucagon-like peptide 1 receptor, 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: | Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H. | | Deposit date: | 2021-02-04 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
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7LLL
 | | Exendin-4-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein | | Descriptor: | Exendin-4, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H. | | Deposit date: | 2021-02-04 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
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2XJR
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D2-D3) | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJT
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D1) | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJP
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and mannose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJS
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and a1,2-mannobiose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJV
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation D201T in complex with calcium and glucose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJU
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation S227A in complex with calcium and a1,2-mannobiose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XJQ
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae | | Descriptor: | CHLORIDE ION, FLOCCULATION PROTEIN FLO5, GLYCEROL, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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1TD0
 | | Viral capsid protein SHP at pH 5.5 | | Descriptor: | Head decoration protein | | Authors: | Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A. | | Deposit date: | 2004-05-21 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
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1TD3
 | | Crystal structure of VSHP_BPP21 in space group C2 | | Descriptor: | Head decoration protein | | Authors: | Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A. | | Deposit date: | 2004-05-21 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP.
J.Mol.Biol., 344, 2004
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1TD4
 | | Crystal structure of VSHP_BPP21 in space group H3 with high resolution. | | Descriptor: | Head decoration protein | | Authors: | Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A. | | Deposit date: | 2004-05-21 | | Release date: | 2004-11-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP.
J.Mol.Biol., 344, 2004
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6E3Y
 | | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | | Descriptor: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | | Deposit date: | 2018-07-16 | | Release date: | 2018-09-19 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018
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6NIY
 | | A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | | Descriptor: | Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M. | | Deposit date: | 2019-01-02 | | Release date: | 2019-01-23 | | Last modified: | 2020-04-08 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | The Molecular Control of Calcitonin Receptor Signaling.
Acs Pharmacol Transl Sci, 2, 2019
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3NEW
 | | p38-alpha complexed with Compound 10 | | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | | Deposit date: | 2010-06-09 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
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9BKK
 | | Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex | | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | | Deposit date: | 2024-04-29 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling
To Be Published
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9BKJ
 | | Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex | | Descriptor: | AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ... | | Authors: | Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | | Deposit date: | 2024-04-29 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling
To Be Published
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2LVL
 | | NMR Structure the lantibiotic immunity protein SpaI | | Descriptor: | SpaI | | Authors: | Christ, N, Bochmann, S, Gottstein, D, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Guentert, P, Entian, K, Woehnert, J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The First Structure of a Lantibiotic Immunity Protein, SpaI from Bacillus subtilis, Reveals a Novel Fold.
J.Biol.Chem., 287, 2012
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5KYK
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
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3R21
 | | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
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8E3X
 | | Cryo-EM structure of the PAC1R-PACAP27-Gs complex | | Descriptor: | 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(s) subunit alpha isoforms short, ... | | Authors: | Piper, S.J, Danev, R, Sexton, P, Wootten, D. | | Deposit date: | 2022-08-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
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8E3Z
 | | Cryo-EM structure of the VPAC1R-VIP-Gs complex | | Descriptor: | 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(s) subunit alpha isoforms short, ... | | Authors: | Piper, S.J, Danev, R, Sexton, P, Wootten, D. | | Deposit date: | 2022-08-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
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