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4CRH
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BU of 4crh by Molmil
Crystal structure of the BTB-T1 domain of human SHKBP1
Descriptor: SH3KBP1-BINDING PROTEIN 1
Authors:Pinkas, D.M, Solcan, N, Krojer, T, Goubin, S, Williams, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-02-26
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
7N4E
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BU of 7n4e by Molmil
Escherichia coli sigma 70-dependent paused transcription elongation complex
Descriptor: 5'-R(*UP*UP*CP*GP*GP*AP*GP*AP*GP*GP*UP*A)-3', DNA (61-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Su, M, Ebright, R.H.
Deposit date:2021-06-04
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and mechanistic basis of sigma-dependent transcriptional pausing.
Proc.Natl.Acad.Sci.USA, 119, 2022
1HKB
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BU of 1hkb by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ...
Authors:Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1997-12-01
Release date:1998-06-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate.
Structure, 6, 1998
2HKB
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NMR Structure of the B-DNA Dodecamer CTCGGCGCCATC
Descriptor: 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3'
Authors:Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-03
Release date:2006-10-03
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
3HKB
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BU of 3hkb by Molmil
Tubulin: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
6HKB
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BU of 6hkb by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Descriptor: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
4HKB
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CH67 Fab (unbound) from the CH65-67 Lineage
Descriptor: CH67 heavy chain, CH67 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-15
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
5HKB
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BU of 5hkb by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to the inhibitor KB2115
Descriptor: ACETATE ION, CFTR Inhibitory Factor (Cif), KB2115
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
8HKB
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BU of 8hkb by Molmil
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis mutant K184D
Descriptor: Periplasmic terephthalate binding protein (TBP), terephthalic acid
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
2HKC
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BU of 2hkc by Molmil
NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC
Descriptor: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3'
Authors:Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-03
Release date:2006-10-03
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
1CZA
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BU of 1cza by Molmil
MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ...
Authors:Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1999-09-01
Release date:2000-03-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
3LQ3
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BU of 3lq3 by Molmil
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
Descriptor: (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2010-02-08
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
3FEG
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BU of 3feg by Molmil
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
Descriptor: (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2008-11-29
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
2IG7
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BU of 2ig7 by Molmil
Crystal structure of Human Choline Kinase B
Descriptor: Choline/ethanolamine kinase, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-09-22
Release date:2006-10-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Human Choline Kinase B
To be Published
4FOE
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BU of 4foe by Molmil
Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate
Descriptor: 6-O-phosphono-beta-D-mannopyranose, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-06-20
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
2Z2G
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BU of 2z2g by Molmil
NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC
Descriptor: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3')
Authors:Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2007-05-22
Release date:2007-10-02
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
2Z2H
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BU of 2z2h by Molmil
NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC
Descriptor: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3')
Authors:Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2007-05-22
Release date:2007-10-02
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
5Y65
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BU of 5y65 by Molmil
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1, ...
Authors:Jiang, L.L, Zhou, L.
Deposit date:2017-08-10
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
To Be Published
1DGK
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BU of 1dgk by Molmil
MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ...
Authors:Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1999-11-24
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
7UEM
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BU of 7uem by Molmil
Genomic and structural basis for the human anti-alpha-galactosyl antibody response
Descriptor: CHLORIDE ION, Heavy chain Fab arm of antibody HKB7, Light chain Fab of antibody HKB7, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-03-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Genetic and structural basis of the human anti-alpha-galactosyl antibody response.
Proc.Natl.Acad.Sci.USA, 119, 2022
3HKC
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BU of 3hkc by Molmil
Tubulin-ABT751: RB3 stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
3HKE
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BU of 3hke by Molmil
Tubulin-T138067: RB3 stathmin-like domain complex
Descriptor: 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
3HKD
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BU of 3hkd by Molmil
Tubulin-TN16 : RB3 stathmin-like domain complex
Descriptor: (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
4HK3
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BU of 4hk3 by Molmil
I2 Fab (unbound) from CH65-CH67 Lineage
Descriptor: I2 heavy chain, I2 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HKX
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BU of 4hkx by Molmil
Influenza hemagglutinin in complex with CH67 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH67 heavy chain, CH67 light chain, ...
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-15
Release date:2012-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013

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