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7V6A
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BU of 7v6a by Molmil
Cry-EM structure of M4-c110-G protein 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(i) subunit alpha-1, ...
Authors:Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
Deposit date:2021-08-20
Release date:2022-05-11
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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BU of 7v68 by Molmil
An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
Deposit date:2021-08-20
Release date:2022-05-11
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V69
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BU of 7v69 by Molmil
Cryo-EM structure of a class A GPCR-G protein 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(i) subunit alpha-1, ...
Authors:Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
Deposit date:2021-08-20
Release date:2022-05-11
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
Authors:Leonard, P.G.
Deposit date:2017-02-07
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
8HJ1
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BU of 8hj1 by Molmil
GPR21(wt) and 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:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
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:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 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:Chen, B, Lin, X.
Deposit date:2022-11-22
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ2
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BU of 8hj2 by Molmil
GPR21 wt with G15 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:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
Authors:Sprague, E.R, McNamara, J.T.
Deposit date:2015-12-10
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: 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, Cesana, 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
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
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(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HS2
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BU of 8hs2 by Molmil
Orphan GPR20 in complex with Fab046
Descriptor: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
Descriptor: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
4N7R
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BU of 4n7r by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein
Descriptor: Genomic DNA, chromosome 3, P1 clone: MXL8, ...
Authors:Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L.
Deposit date:2013-10-16
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
3R21
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BU of 3r21 by Molmil
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
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
Descriptor: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
Descriptor: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
Descriptor: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
Descriptor: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YQH
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BU of 4yqh by Molmil
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
Descriptor: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D, Herman, L, Wang, T.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.308 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YS7
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BU of 4ys7 by Molmil
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Descriptor: 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D.F, Herman, L, Wang, T.
Deposit date:2015-03-16
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YAT
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BU of 4yat by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b)
Descriptor: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016

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