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7FD2
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BU of 7fd2 by Molmil
Cryo-EM structure of an alphavirus, Getah virus
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, Z, Liu, C, Wang, A.
Deposit date:2021-07-15
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 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
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
4PH4
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BU of 4ph4 by Molmil
The crystal structure of Human VPS34 in complex with PIK-III
Descriptor: 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-05-04
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
3EIX
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BU of 3eix by Molmil
Crystal structure of selenomethionine labelled Staphylococcus aureus lipoprotein, HtsA
Descriptor: CHLORIDE ION, HtsA protein
Authors:Grigg, J.C, Murphy, M.E.P.
Deposit date:2008-09-17
Release date:2009-05-26
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Characterization of staphyloferrin A biosynthetic and transport mutants in Staphylococcus aureus.
Mol.Microbiol., 72, 2009
3EIW
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BU of 3eiw by Molmil
Crystal structure of Staphylococcus aureus lipoprotein, HtsA
Descriptor: CHLORIDE ION, HtsA protein
Authors:Grigg, J.C, Murphy, M.E.P.
Deposit date:2008-09-17
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of staphyloferrin A biosynthetic and transport mutants in Staphylococcus aureus.
Mol.Microbiol., 72, 2009
8T9H
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BU of 8t9h by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Abini-Agbomson, S, Armache, K.-J.
Deposit date:2023-06-24
Release date:2023-09-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Biorxiv, 2023
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
Descriptor: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
Authors:Wang, Y.Y, Shan, S, Zhou, Z.
Deposit date:2018-08-03
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
3W1W
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BU of 3w1w by Molmil
Protein-drug complex
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHOLIC ACID, ...
Authors:Ishii, R, Gupta, V, Yamaguchi, Y, Handa, H, Nureki, O.
Deposit date:2012-11-21
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Salicylic Acid induces mitochondrial injury by inhibiting ferrochelatase heme biosynthesis activity
Mol.Pharmacol., 84, 2013
6KUJ
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BU of 6kuj by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 1
Descriptor: 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation
NAT NANOTECHNOL, 2019
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi 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, H, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-12-07
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
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, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
6GSU
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BU of 6gsu by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSW
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BU of 6gsw by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSX
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BU of 6gsx by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GST
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BU of 6gst by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
7UF8
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BU of 7uf8 by Molmil
Structure of CtdP in complex with penicimutamide E and NADP+
Descriptor: 1,2-ETHANEDIOL, CtdP, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rivera, S, Liu, Z, Newmister, S.A, Gao, X, Sherman, D.H.
Deposit date:2022-03-22
Release date:2023-02-22
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An NmrA-like enzyme-catalysed redox-mediated Diels-Alder cycloaddition with anti-selectivity.
Nat.Chem., 15, 2023
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
5YQN
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BU of 5yqn by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L55
Descriptor: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, H, Yu, Y, Li, G, Chen, Q.
Deposit date:2017-11-07
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
8CZK
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BU of 8czk by Molmil
Human LanCL1 bound to GSH and Dhb-Erk peptide
Descriptor: Deb-Erk peptide, GLUTATHIONE, Glutathione S-transferase LANCL1, ...
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-05-24
Release date:2023-01-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023

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