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8U3L
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BU of 8u3l by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U30
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BU of 8u30 by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the closed state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U3C
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BU of 8u3c by Molmil
TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer)
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
4QTB
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BU of 4qtb by Molmil
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
2E32
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BU of 2e32 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, S-phase kinase-associated protein 1A
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
4OR9
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BU of 4or9 by Molmil
Crystal structure of human calcineurin
Descriptor: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ...
Authors:Li, S.J, Wang, J, Wu, J.W, Wang, Z.X.
Deposit date:2014-02-11
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
Descriptor: Bromodomain-containing protein 2, Stat3 peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017
6BVA
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BU of 6bva by Molmil
Ubiquitin Variant (UbV.Fl10.1) bound to a human Skp1-Fbl10 fragment complex.
Descriptor: Lysine-specific demethylase 2B, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-12
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
1XQ8
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BU of 1xq8 by Molmil
Human micelle-bound alpha-synuclein
Descriptor: Alpha-synuclein
Authors:Ulmer, T.S, Bax, A, Cole, N.B, Nussbaum, R.L.
Deposit date:2004-10-11
Release date:2005-01-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and dynamics of micelle-bound human alpha-synuclein
J.Biol.Chem., 280, 2005
1GA3
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BU of 1ga3 by Molmil
NMR STRUCTURE OF INTERLEUKIN-13
Descriptor: Interleukin-13
Authors:Eisenmesser, E.Z, Horita, D.A, Altieri, A.S, Byrd, R.A.
Deposit date:2000-11-29
Release date:2001-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of interleukin-13 and insights into receptor engagement
J.Mol.Biol., 310, 2001
2CJM
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BU of 2cjm by Molmil
Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Welburn, J.P.I, Tucker, J, Johnson, T, Lindert, L, Morgan, M, Willis, A, Noble, M.E.M, Endicott, J.A.
Deposit date:2006-04-05
Release date:2006-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
6BYH
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BU of 6byh by Molmil
Ubiquitin Variant (UbV.Fl11.1) bound to a human Skp1-Fbl11 fragment complex.
Descriptor: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-20
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
5V4B
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BU of 5v4b by Molmil
Crystal structure of the Skp1-FBXW7-DISC1 complex
Descriptor: DISC1 peptide, F-box/WD repeat-containing protein 7, IMIDAZOLE, ...
Authors:Li, Y, Baillie, G.S, Hao, B.
Deposit date:2017-03-08
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:FBXW7 regulates DISC1 stability via the ubiquitin-proteosome system.
Mol. Psychiatry, 23, 2018
8CPD
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BU of 8cpd by Molmil
Cryo-EM structure of CRaf dimer with 14:3:3
Descriptor: 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase
Authors:Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J.
Deposit date:2023-03-02
Release date:2024-02-21
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
8CHF
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BU of 8chf by Molmil
cryo-EM Structure of Craf:14-3-3:Mek1
Descriptor: 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Dedden, D, Ulrich, G.
Deposit date:2023-02-07
Release date:2024-02-21
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
6U2H
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BU of 6u2h by Molmil
BRAF dimer bound to 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
2V5W
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BU of 2v5w by Molmil
Crystal structure of HDAC8-substrate complex
Descriptor: GLYCYL-GLYCYL-GLYCINE, HISTONE DEACETYLASE 8, PEPTIDIC SUBSTRATE, ...
Authors:Di Marco, S, Vannini, A, Volpari, C.
Deposit date:2007-07-10
Release date:2007-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
1HN4
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BU of 1hn4 by Molmil
PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ...
Authors:Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J.
Deposit date:2000-12-06
Release date:2001-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure.
Biochemistry, 40, 2001
1FXF
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BU of 1fxf by Molmil
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J.
Deposit date:2000-09-25
Release date:2001-09-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
4F38
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BU of 4f38 by Molmil
Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form
Descriptor: GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Guo, Z, Tnimov, Z, Alexandrov, K.
Deposit date:2012-05-09
Release date:2012-05-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI.
J.Biol.Chem., 287, 2012
4PS4
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BU of 4ps4 by Molmil
Crystal structure of the complex between IL-13 and M1295 FAB
Descriptor: Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2014-03-06
Release date:2014-03-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
2EXM
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BU of 2exm by Molmil
Human CDK2 in complex with isopentenyladenine
Descriptor: Cell division protein kinase 2, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Authors:Schulze-Gahmen, U.
Deposit date:2005-11-08
Release date:2005-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multiple modes of ligand recognition: crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine.
Proteins, 22, 1995
3EWF
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BU of 3ewf by Molmil
Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate.
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-14
Release date:2008-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
3NKX
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BU of 3nkx by Molmil
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Descriptor: 14-3-3 protein zeta/delta, PROPANOIC ACID, Peptide of RAF proto-oncogene serine/threonine-protein kinase
Authors:Schumacher, B, Weyand, M, Ottmann, C.
Deposit date:2010-06-21
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling
Mol.Cell.Biol., 30, 2010
2PHE
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BU of 2phe by Molmil
Model for VP16 binding to PC4
Descriptor: Alpha trans-inducing protein, TRANSCRIPTIONAL COACTIVATOR PC4
Authors:Jonker, H.R.A, Wechselberger, R.W, Boelens, R, Folkers, G.E, Kaptein, R.
Deposit date:2007-04-11
Release date:2007-04-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Properties of the Promiscuous VP16 Activation Domain
Biochemistry, 44, 2005

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