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7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
Descriptor: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCN
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BU of 6qcn by Molmil
Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Riemer, S, You, W, Steegborn, C.
Deposit date:2018-12-29
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCE
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BU of 6qce by Molmil
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCH
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BU of 6qch by Molmil
Human Sirt6 in complex with ADP-ribose and the activator cyanidin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6ZGC
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BU of 6zgc by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)
Descriptor: Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ...
Authors:Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-06-18
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
Descriptor: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Stout, C.D, Pikuleva, I.A, Mast, N.
Deposit date:2012-06-08
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
4OLC
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BU of 4olc by Molmil
Carbamate kinase from Giardia lamblia thiocarbamoylated by disulfiram on Cys242
Descriptor: CITRIC ACID, Carbamate kinase, DIETHYLCARBAMODITHIOIC ACID
Authors:Lim, K, Herzberg, O.
Deposit date:2014-01-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Inactivation of Giardia lamblia Carbamate Kinase by Disulfiram.
J.Biol.Chem., 289, 2014
6QCJ
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BU of 6qcj by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6GMS
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BU of 6gms by Molmil
Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC)
Descriptor: Prepilin peptidase-dependent protein D
Authors:Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2018-05-28
Release date:2019-05-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
6M63
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BU of 6m63 by Molmil
Crystal structure of a cAMP sensor G-Flamp1.
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein
Authors:Zhou, Z, Chen, S, Wang, L, Chu, J.
Deposit date:2020-03-12
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KKE
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BU of 6kke by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-07-25
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.577 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KKB
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BU of 6kkb by Molmil
A novel agonist of THRb
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-07-24
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNU
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BU of 6knu by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
4WVD
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BU of 4wvd by Molmil
Identification of a novel FXR ligand that regulates metabolism
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ...
Authors:Wang, R, Li, Y.
Deposit date:2014-11-05
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
5ZXH
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BU of 5zxh by Molmil
The structure of MT189-tubulin complex
Descriptor: 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Li, Z.P, Wang, Y.X, Meng, T, Yang, J.L, Chen, Q.
Deposit date:2018-05-21
Release date:2019-05-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of MT189-Tubulin Complex Provides Insights into Drug Design
Lett.Drug Des.Discovery, 2019
6WQ0
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BU of 6wq0 by Molmil
Cryo-EM of the S. solfataricus rod-shaped virus, SSRV1
Descriptor: DNA (301-MER), Structural protein
Authors:Wang, F, Baquero, D.P, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-04-28
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of filamentous viruses infecting hyperthermophilic archaea explain DNA stabilization in extreme environments.
Proc.Natl.Acad.Sci.USA, 117, 2020
8CYE
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BU of 8cye by Molmil
Cryo-EM asymmetric reconstruction of the EPEC H6 bacterial flagellar filament Normal Waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-23
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022

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PDB entries from 2024-07-10

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