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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
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Ter Haar, E.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
7L7E
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BU of 7l7e by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7XMW
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BU of 7xmw by Molmil
Crystal structure of anti-CRISPR protein AcrVIA2
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AcrVIA2, SELENIUM ATOM, ...
Authors:Yan, X, Li, X, Song, G.
Deposit date:2022-04-27
Release date:2023-05-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of AcrVIA2 and its binding mechanism to CRISPR-Cas13a.
Biochem.Biophys.Res.Commun., 612, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
Descriptor: Fab14 heavy chain, Fab14 light chain
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7XZ6
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BU of 7xz6 by Molmil
GPR119-Gs-APD668 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:Xu, P, Huang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-06-02
Release date:2022-08-24
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
7XZ5
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BU of 7xz5 by Molmil
GPR119-Gs-LPC complex
Descriptor: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, 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:Xu, P, Huang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-06-02
Release date:2022-08-24
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
6AKY
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BU of 6aky by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ...
Authors:Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
8X17
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BU of 8x17 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF102
Descriptor: Adenosine receptor A3, 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:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8X16
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BU of 8x16 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF101
Descriptor: Adenosine receptor A3, 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:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
6AKX
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BU of 6akx by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21
Descriptor: C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ...
Authors:Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
Descriptor: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-09-14
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
Descriptor: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2023-07-27
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
Descriptor: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2023-07-29
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
7XAA
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BU of 7xaa by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 21d
Descriptor: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.100414 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
Descriptor: 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.00067449 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
5Z7A
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BU of 5z7a by Molmil
Crystal structure of NDP52 SKICH region
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
Authors:Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q.
Deposit date:2018-01-27
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Z7G
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BU of 5z7g by Molmil
Crystal structure of TAX1BP1 SKICH region in complex with NAP1
Descriptor: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1
Authors:Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C.
Deposit date:2018-01-28
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024

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