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6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
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
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
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]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
Authors:Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
9GGC
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BU of 9ggc by Molmil
Structure of the G848S mutant of human mitochondrial DNA polymerase gamma
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-08-13
Release date:2025-04-16
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Small molecules restore mutant mitochondrial DNA polymerase activity.
Nature, 642, 2025
9GGB
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BU of 9ggb by Molmil
Structure of the G848S mutant of human mitochondrial DNA polymerase gamma in complex with PZL-A
Descriptor: 1-[(4S)-8-chloranyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-phenylpyrazol-3-yl)urea, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-08-13
Release date:2025-04-16
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Small molecules restore mutant mitochondrial DNA polymerase activity.
Nature, 642, 2025
9GGF
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BU of 9ggf by Molmil
Structure of WT human mitochondrial DNA polymerase gamma
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-08-13
Release date:2025-04-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Small molecules restore mutant mitochondrial DNA polymerase activity.
Nature, 642, 2025
9GGE
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BU of 9gge by Molmil
Structure of the A467T mutant of human mitochondrial DNA polymerase gamma
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-08-13
Release date:2025-04-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Small molecules restore mutant mitochondrial DNA polymerase activity.
Nature, 642, 2025
9GGD
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BU of 9ggd by Molmil
Structure of the A467T mutant of human mitochondrial DNA polymerase gamma in complex with PZL-A
Descriptor: 1-[(4S)-8-chloranyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-phenylpyrazol-3-yl)urea, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-08-13
Release date:2025-04-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Small molecules restore mutant mitochondrial DNA polymerase activity.
Nature, 642, 2025
9KHQ
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BU of 9khq by Molmil
Crystal structure of N-acyl homoserine lactonase AhlX
Descriptor: MAGNESIUM ION, N-acylhomoserine lactonase, NICKEL (II) ION
Authors:Chen, Y, Chu, X.H.
Deposit date:2024-11-11
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An AHL-lactonase mutant featuring a unique "tri-His" motif exhibits enhanced activity, stability and effectively controls plant soft rot.
Int.J.Biol.Macromol., 308, 2025
9KHO
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BU of 9kho by Molmil
Crystal structure of N-acyl homoserine lactonase AhlX mutant M41(E77I/D177G/T243Y/H255L)
Descriptor: N-acylhomoserine lactonase, NICKEL (II) ION
Authors:Chen, Y, Chu, X.H.
Deposit date:2024-11-11
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:An AHL-lactonase mutant featuring a unique "tri-His" motif exhibits enhanced activity, stability and effectively controls plant soft rot.
Int.J.Biol.Macromol., 308, 2025
8J19
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BU of 8j19 by Molmil
Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex
Descriptor: 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J1A
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BU of 8j1a by Molmil
Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled
Descriptor: Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J18
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BU of 8j18 by Molmil
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
4JBR
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BU of 4jbr by Molmil
tRNA-guanine transglycosylase Y330C mutant as covalently linked dimer in space group P6(5)22
Descriptor: DIMETHYL SULFOXIDE, ZINC ION, tRNA-guanine transglycosylase
Authors:Jakobi, S, Klebe, G.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
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:2025-07-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
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:2024-11-13
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:2024-10-23
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5I3Q
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BU of 5i3q by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
6A7U
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BU of 6a7u by Molmil
Crystal structure of histone H2A.Bbd-H2B dimer
Descriptor: Histone H2B type 2-E,Histone H2A-Bbd type 2/3
Authors:Dai, L, Zhou, Z.
Deposit date:2018-07-04
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the histone heterodimer containing histone variant H2A.Bbd.
Biochem. Biophys. Res. Commun., 503, 2018

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