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7BGW
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BU of 7bgw by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1011
Descriptor: 14-3-3 protein sigma, 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
Deposit date:2021-01-08
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
1RE8
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BU of 1re8 by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2
Descriptor: 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE, N-OCTANE, cAMP-dependent protein kinase, ...
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
7E34
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BU of 7e34 by Molmil
Crystal structure of SUN1-Speedy A-CDK2
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
Authors:Chen, Y, Huang, C, Wu, J, Lei, M.
Deposit date:2021-02-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
Descriptor: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BIW
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BU of 7biw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
Descriptor: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
1REK
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BU of 1rek by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
Descriptor: 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ...
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
3N8B
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BU of 3n8b by Molmil
Crystal Structure of Borrelia burgdorferi Pur-alpha
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
Authors:Graebsch, A, Roche, S, Kostrewa, D, Niessing, D.
Deposit date:2010-05-28
Release date:2010-10-06
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
8P0D
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BU of 8p0d by Molmil
Human 14-3-3 sigma in complex with human MDM2 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B.
Deposit date:2023-05-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization.
J.Biol.Chem., 300, 2024
2XPN
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BU of 2xpn by Molmil
Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form I
Descriptor: BROMIDE ION, CHROMATIN STRUCTURE MODULATOR, IWS1
Authors:Diebold, M.-L, Koch, M, Cura, V, Cavarelli, J, Romier, C.
Deposit date:2010-08-27
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
2XPO
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BU of 2xpo by Molmil
Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form II
Descriptor: CHLORIDE ION, CHROMATIN STRUCTURE MODULATOR, IWS1
Authors:Diebold, M.-L, Koch, M, Cura, V, Moras, D, Cavarelli, J, Romier, C.
Deposit date:2010-08-27
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
1INR
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BU of 1inr by Molmil
CYTOKINE SYNTHESIS
Descriptor: INTERLEUKIN-10
Authors:Walter, M.R.
Deposit date:1995-07-31
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of interleukin 10 reveals an interferon gamma-like fold.
Biochemistry, 34, 1995
3HFH
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BU of 3hfh by Molmil
Crystal structure of tandem FF domains
Descriptor: Transcription elongation regulator 1
Authors:Lu, M, Yang, J, Ren, Z, Subir, S, Bedford, M.T, Jacobson, R.H, McMurray, J.S, Chen, X.
Deposit date:2009-05-11
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal Structure of the Three Tandem FF Domains of the Transcription Elongation Regulator CA150.
J.Mol.Biol., 393, 2009
1REJ
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BU of 1rej by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1
Descriptor: 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
1PP5
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BU of 1pp5 by Molmil
Structure of Antibacterial Peptide Microcin J25: a 21-Residue Lariat Protoknot
Descriptor: microcin J25
Authors:Bayro, M.J, Swapna, G.V.T, Huang, J.Y, Ma, L.-C, Mukhopadhyay, J, Ebright, R.H, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-06-16
Release date:2003-10-28
Last modified:2012-12-12
Method:SOLUTION NMR
Cite:Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot.
J.Am.Chem.Soc., 125, 2003
8C1Y
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BU of 8c1y by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
4KMA
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BU of 4kma by Molmil
Crystal structure of Drosophila Suppressor of Fused
Descriptor: GM14141p
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KM9
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BU of 4km9 by Molmil
Crystal structure of human Suppressor of Fused
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
1ATP
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BU of 1atp by Molmil
2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PEPTIDE INHIBITOR PKI(5-24), ...
Authors:Zheng, J, Trafny, E.A, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Teneyck, L.F, Sowadski, J.M.
Deposit date:1993-01-08
Release date:1993-04-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor.
Acta Crystallogr.,Sect.D, 49, 1993
5XQM
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BU of 5xqm by Molmil
NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans
Descriptor: Small ubiquitin-related modifier
Authors:Gowda, C.M, Surana, P, Das, R.
Deposit date:2017-06-07
Release date:2017-11-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and functional analysis of SMO-1, the SUMO homolog in Caenorhabditis elegans
PLoS ONE, 12, 2017
4A1X
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BU of 4a1x by Molmil
Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data)
Descriptor: CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1V
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BU of 4a1v by Molmil
Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
Descriptor: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
2Q3T
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BU of 2q3t by Molmil
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g22680
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Protein At3g22680, ...
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2JZF
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BU of 2jzf by Molmil
NMR Conformer closest to the mean coordinates of the domain 513-651 of the SARS-CoV nonstructural protein nsp3
Descriptor: Replicase polyprotein 1ab
Authors:Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2008-01-04
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009

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