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8APE
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rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Muehleip, A, Gahura, O, Zikova, A, Amunts, A.
Deposit date:2022-08-09
Release date:2022-10-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
8APK
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BU of 8apk by Molmil
rotational state 3 of the Trypanosoma brucei mitochondrial ATP synthase dimer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Muehleip, A, Gahura, O, Zikova, A, Amunts, A.
Deposit date:2022-08-09
Release date:2022-10-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
8APG
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BU of 8apg by Molmil
rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Muehleip, A, Gahura, O, Zikova, A, Amunts, A.
Deposit date:2022-08-09
Release date:2022-10-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
8AP6
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BU of 8ap6 by Molmil
Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Muehleip, A, Gahura, O, Zikova, A, Amunts, A.
Deposit date:2022-08-09
Release date:2022-12-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
7XSU
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BU of 7xsu by Molmil
Cardiac sodium channel in complex with LqhIII
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-like toxin Lqh3, ...
Authors:Jiang, D, Catterall, W.A.
Deposit date:2022-05-15
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural Basis for Nav1.5 Opening Modulated by a Gating Modifier Toxin
To Be Published
8ADB
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BU of 8adb by Molmil
Viral tegument-like DUBs
Descriptor: CITRIC ACID, Polyubiquitin-C, Wc-VDT1, ...
Authors:Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K.
Deposit date:2022-07-08
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins.
Nat Commun, 13, 2022
7VR8
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BU of 7vr8 by Molmil
Inward-facing structure of human EAAT2 in the substrate-free state
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, ...
Authors:Kato, T, Kusakizako, T, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2021-10-22
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into inhibitory mechanism of human excitatory amino acid transporter EAAT2.
Nat Commun, 13, 2022
7VR7
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BU of 7vr7 by Molmil
Inward-facing structure of human EAAT2 in the WAY213613-bound state
Descriptor: (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Kato, T, Kusakizako, T, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2021-10-22
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural insights into inhibitory mechanism of human excitatory amino acid transporter EAAT2.
Nat Commun, 13, 2022
7Z1R
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BU of 7z1r by Molmil
X-ray crystal structure of SLPYL1-E151D mutant ABA complex
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, GLYCEROL, SlPYL1-E151D ABA
Authors:Infantes, L, Albert, A.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
7VYF
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BU of 7vyf by Molmil
Matrix arm of active state CI from Rotenone dataset
Descriptor: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
Authors:Gu, J.K, Yang, M.J.
Deposit date:2021-11-14
Release date:2022-11-23
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7VZR
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BU of 7vzr by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
8AY9
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BU of 8ay9 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
7WF7
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BU of 7wf7 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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:He, Y, Xu, Z.
Deposit date:2021-12-26
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
8AEI
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BU of 8aei by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal
Descriptor: (3R)-3,7-dimethyloct-6-en-1-ol, MAGNESIUM ION, Minor allergen Can f 2
Authors:Schwartz, M, Briand, L.
Deposit date:2022-07-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of dog odorant binding protein
To Be Published
7VIE
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BU of 7vie by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8AGP
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BU of 8agp by Molmil
Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65
Descriptor: (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8AM8
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BU of 8am8 by Molmil
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate - W113A mutant
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
Authors:Prior, S.H, Taylor, E.J.
Deposit date:2022-08-03
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Rational design of a cyclohexanone dehydrogenase for enhanced alpha , beta-desaturation and substrate specificity.
Chem Sci, 15, 2024
8B7R
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BU of 8b7r by Molmil
Bacterial chalcone isomerase with taxifolin chalcone
Descriptor: (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one, CHLORIDE ION, Chalcone isomerase, ...
Authors:Hinrichs, W, Palm, G.J.
Deposit date:2022-10-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus .
Molecules, 27, 2022
8BTH
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BU of 8bth by Molmil
Notum Inhibitor ARUK3004552
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2022-11-28
Release date:2022-12-14
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
8BEL
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BU of 8bel by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CIII membrane domain)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-10-21
Release date:2023-01-11
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.25 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BEF
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BU of 8bef by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane core)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-10-21
Release date:2023-01-11
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.13 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
7W54
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BU of 7w54 by Molmil
Crystal structure of a bacterial OTU DUB with Ub-PA
Descriptor: Lpg2248, Polyubiquitin-B, prop-2-en-1-amine
Authors:Zhen, X, Ouyang, S.Y.
Deposit date:2021-11-29
Release date:2022-08-24
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the dual catalytic activity of the Legionella pneumophila ovarian tumor (OTU) domain deubiquitinase LotA.
J.Biol.Chem., 298, 2022
8BPX
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BU of 8bpx by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-11-18
Release date:2023-01-25
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
7W3Q
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BU of 7w3q by Molmil
Crystal structure of RORgamma in complex with natural inverse agonist
Descriptor: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2
Authors:Tian, S.Y, Li, Y.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published

222415

PDB entries from 2024-07-10

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