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8DEI
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BU of 8dei by Molmil
Structure of the Cac1 KER domain
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ...
Authors:Rosas, R, Churchill, M.E.A.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function.
Elife, 12, 2023
8DED
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BU of 8ded by Molmil
Cryo-EM Structure of Western Equine Encephalitis Virus VLP in complex with SKW19 fab
Descriptor: SKW19 Fab heavy chain, SKW19 Fab light chain, Spike glycoprotein E1, ...
Authors:Pletnev, S, Tsybovsky, Y, Verardi, R, Roedeger, M, Kwong, P.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DEB
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BU of 8deb by Molmil
Bacteroides fragilis carboxyspermidine dehydrogenase
Descriptor: Carboxyspermidine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:McFarlane, J.S, Bouchey, S, Dodd, J.
Deposit date:2022-06-20
Release date:2023-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Kinetic and structural characterization of carboxyspermidine dehydrogenase of polyamine biosynthesis.
J.Biol.Chem., 299, 2023
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DE8
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BU of 8de8 by Molmil
Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA mixed micelles
Descriptor: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, POTASSIUM ION, Potassium channel, ...
Authors:Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M.
Deposit date:2022-06-20
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
8DE5
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BU of 8de5 by Molmil
Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii
Descriptor: D-galactonic acid, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Hernandez-Prieto, J.H, Martini, V.P, Iulek, J.
Deposit date:2022-06-19
Release date:2023-06-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii in complex with an aldonic sugar acid.
Biochimie, 218, 2023
8DE4
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BU of 8de4 by Molmil
Native serotonin transporter in complex with 15B8 Fab in the presence of methamphetamine
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, 15B8 Fab heavy chain variable domain, 15B8 Fab light chain variable domain, ...
Authors:Yang, D, Gouaux, E.
Deposit date:2022-06-19
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Native serotonin transporter in complex with 15B8 Fab in the presence of methamphetamine
To be published
8DDY
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BU of 8ddy by Molmil
Helical rods of far-red light-absorbing allophycocyanin in Synechococcus sp.
Descriptor: Allophycocyanin subunit alpha, Allophycocyanin subunit beta, CHLORIDE ION, ...
Authors:Gisriel, C.J, Shen, G.S, Soulier, N.T, Flesher, D.A, Brudvig, G.W, Bryant, D.A.
Deposit date:2022-06-19
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Helical allophycocyanin nanotubes absorb far-red light in a thermophilic cyanobacterium.
Sci Adv, 9, 2023
8DDX
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BU of 8ddx by Molmil
cryo-EM structure of TRPM3 ion channel in complex with Gbg in the presence of PIP2, tethered by ALFA-nanobody
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDW
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BU of 8ddw by Molmil
cryo-EM structure of TRPM3 ion channel in complex with Gbg, tethered by ALFA-nanobody
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, Transient receptor potential cation channel, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDV
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BU of 8ddv by Molmil
Cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state4
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDU
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BU of 8ddu by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state3
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDT
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BU of 8ddt by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDS
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BU of 8dds by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDR
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BU of 8ddr by Molmil
cryo-EM structure of TRPM3 ion channel in the absence of PIP2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDQ
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BU of 8ddq by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of soluble Gbg, focused on channel
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDP
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BU of 8ddp by Molmil
Crystal structure of SRS57 from Toxoplasma gondii
Descriptor: GLYCEROL, SAG-related sequence SRS57
Authors:Ramaswamy, R, Boulanger, M.J.
Deposit date:2022-06-18
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Crystal structure of SRS29C from Toxoplasma gondii
To Be Published
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2022-06-18
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDH
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BU of 8ddh by Molmil
Racemic mixture of FYF peptide reveals rippled beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDF
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BU of 8ddf by Molmil
Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DD9
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BU of 8dd9 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-17
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD6
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BU of 8dd6 by Molmil
SARS-CoV-2 Main Protease (Mpro) H163A Mutant in Complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, DIMETHYL SULFOXIDE, ORF1a polyprotein
Authors:Tran, N, McLeod, M.J, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T.
Deposit date:2022-06-17
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease.
Nat Commun, 14, 2023
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022

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PDB entries from 2024-07-10

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