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1EEG
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BU of 1eeg by Molmil
A(GGGG)A HEXAD PAIRING ALIGMENT FOR THE D(G-G-A-G-G-A-G) SEQUENCE
Descriptor: DNA (5'-D(*GP*GP*AP*GP*GP*A)-3')
Authors:Kettani, A, Gorin, A, Majumdar, A, Hermann, T, Skripkin, E, Zhao, H, Jones, R, Patel, D.J.
Deposit date:2000-01-31
Release date:2000-04-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A dimeric DNA interface stabilized by stacked A.(G.G.G.G).A hexads and coordinated monovalent cations.
J.Mol.Biol., 297, 2000
2C5A
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BU of 2c5a by Molmil
GDP-mannose-3', 5' -epimerase (Arabidopsis thaliana),Y174F, with GDP-beta-L-galactose bound in the active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
1ESV
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BU of 1esv by Molmil
COMPLEX BETWEEN LATRUNCULIN A:RABBIT MUSCLE ALPHA ACTIN:HUMAN GELSOLIN DOMAIN 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ALPHA ACTIN, CALCIUM ION, ...
Authors:Morton, W.M, Ayscough, K.A, McLaughlin, P.J.
Deposit date:2000-04-11
Release date:2000-07-19
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Latrunculin alters the actin-monomer subunit interface to prevent polymerization.
Nat.Cell Biol., 2, 2000
2C59
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BU of 2c59 by Molmil
gdp-mannose-3', 5' -epimerase (arabidopsis thaliana), with gdp-alpha-d-mannose and gdp-beta-l-galactose bound in the active site.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
3KMV
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BU of 3kmv by Molmil
Crystal structure of CBM42A from Clostridium thermocellum
Descriptor: ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ...
Authors:Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J.
Deposit date:2009-11-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities.
Biochim.Biophys.Acta, 1804, 2010
1G83
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BU of 1g83 by Molmil
CRYSTAL STRUCTURE OF FYN SH3-SH2
Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN
Authors:Arold, S.T, Ulmer, T.S, Mulhern, T.D, Werner, J.M, Ladbury, J.E, Campbell, I.D, Noble, M.E.M.
Deposit date:2000-11-16
Release date:2001-05-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The role of the Src homology 3-Src homology 2 interface in the regulation of Src kinases.
J.Biol.Chem., 276, 2001
3IDB
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BU of 3idb by Molmil
Crystal structure of (108-268)RIIb:C holoenzyme of cAMP-dependent protein kinase
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Brown, S.H.J, Wu, J, Kim, C, Alberto, K, Taylor, S.S.
Deposit date:2009-07-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Novel isoform-specific interfaces revealed by PKA RIIbeta holoenzyme structures.
J.Mol.Biol., 393, 2009
1JCA
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BU of 1jca by Molmil
Non-standard Design of Unstable Insulin Analogues with Enhanced Activity
Descriptor: ZINC ION, insulin a, insulin b
Authors:Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G.
Deposit date:2001-06-08
Release date:2001-06-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
3IDC
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BU of 3idc by Molmil
Crystal structure of (102-265)RIIb:C holoenzyme of cAMP-dependent protein kinase
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Brown, S.H.J, Wu, J, Kim, C, Alberto, K, Taylor, S.S.
Deposit date:2009-07-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel isoform-specific interfaces revealed by PKA RIIbeta holoenzyme structures.
J.Mol.Biol., 393, 2009
2K6L
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BU of 2k6l by Molmil
The solution structure of XACb0070 from Xanthonomas axonopodis pv citri reveals this new protein is a member of the RHH family of transcriptional repressors
Descriptor: Putative uncharacterized protein
Authors:Gallo, M, Cicero, D.O, Amata, I, Eliseo, T, Paci, M, Spisni, A, Ferrari, E, Pertinhez, T.A, Farah, C.S.
Deposit date:2008-07-11
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure reveals that XACb0070 from the plant pathogen Xanthomonas citri belongs to the RHH superfamily of bacterial DNA-binding proteins
To be Published
5AJJ
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BU of 5ajj by Molmil
Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3 domain
Descriptor: ACETATE ION, BH3-INTERACTING DOMAIN DEATH AGONIST, GLYCEROL, ...
Authors:Kvansakul, M, Colman, P.M.
Deposit date:2015-02-25
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim.
Cell Death Dis., 6, 2015
3SS1
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BU of 3ss1 by Molmil
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain
Descriptor: MANGANESE (II) ION, Toxin A
Authors:Pruitt, R.N, Chumbler, N.M, Farrow, M.A, Seeback, S.A, Friedman, D.B, Spiller, B.W, Lacy, D.B.
Deposit date:2011-07-07
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural Determinants of Clostridium difficile Toxin A Glucosyltransferase Activity.
J.Biol.Chem., 287, 2012
3TT9
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BU of 3tt9 by Molmil
Crystal structure of the stable degradation fragment of human plakophilin 2 isoform a (PKP2a) C752R variant
Descriptor: GLYCEROL, Plakophilin-2
Authors:Schuetz, A, Roske, Y, Gerull, B, Heinemann, U.
Deposit date:2011-09-14
Release date:2012-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular insights into arrhythmogenic right ventricular cardiomyopathy caused by plakophilin-2 missense mutations.
Circ Cardiovasc Genet, 5, 2012
5BRW
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BU of 5brw by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Descriptor: ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
1W4I
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BU of 1w4i by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: PYRUVATE DEHYDROGENASE E2
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1W4E
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BU of 1w4e by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1W4G
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BU of 1w4g by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state folding transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
3SL9
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BU of 3sl9 by Molmil
X-ray structure of Beta catenin in complex with Bcl9
Descriptor: 1,2-ETHANEDIOL, B-cell CLL/lymphoma 9 protein, Catenin beta-1, ...
Authors:Gupta, D, Bienz, M.
Deposit date:2011-06-24
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An intrinsically labile alpha-helix abutting the BCL9-binding site of beta-catenin is required for its inhibition by carnosic acid.
Nat Commun, 3, 2012
3SLA
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BU of 3sla by Molmil
X-ray structure of first four repeats of human beta-catenin
Descriptor: Catenin beta-1, GLYCEROL, SODIUM ION
Authors:Gupta, D, Bienz, M.
Deposit date:2011-06-24
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An intrinsically labile alpha-helix abutting the BCL9-binding site of beta-catenin is required for its inhibition by carnosic acid.
Nat Commun, 3, 2012
1W4F
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BU of 1w4f by Molmil
Peripheral-subunit from mesophilic, thermophilic and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
5TOI
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BU of 5toi by Molmil
Crystal Structure of the Marburg Virus VP35 Oligomerization Domain P4222
Descriptor: Polymerase cofactor VP35
Authors:Bruhn, J.F, Tickle, I.J, Bricogne, G, Saphire, E.O.
Deposit date:2016-10-17
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the Marburg Virus VP35 Oligomerization Domain.
J. Virol., 91, 2017
4DXT
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BU of 4dxt by Molmil
Human SUN2 (AA 522-717)
Descriptor: POTASSIUM ION, SUN domain-containing protein 2
Authors:Sosa, B, Schwartz, T.U.
Deposit date:2012-02-28
Release date:2012-06-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:LINC Complexes Form by Binding of Three KASH Peptides to Domain Interfaces of Trimeric SUN Proteins.
Cell(Cambridge,Mass.), 149, 2012
2X0V
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BU of 2x0v by Molmil
STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4-(trifluoromethyl)benzene-1,2-diamine
Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Basse, N, Kaar, J.L, Joerger, A.C, Fersht, A.R.
Deposit date:2009-12-17
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Chem.Biol., 17, 2010
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
Descriptor: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Boeckler, F.M, Fersht, A.R.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015

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