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6N44
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BU of 6n44 by Molmil
Sheep Galectin-11 (LGALS11) complex with glycerol
Descriptor: GLYCEROL, Galectin
Authors:Beddoe, T.C, Sakthivel, D.
Deposit date:2018-11-17
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The oligomeric assembly of galectin-11 is critical for anti-parasitic activity in sheep (Ovis aries).
Commun Biol, 3, 2020
5KBF
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BU of 5kbf by Molmil
cAMP bound PfPKA-R (141-441)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CAMP-dependent protein kinase regulatory subunit, putative
Authors:Littler, D.R, Gilson, P.R, Crabb, B.S, Rossjohn, J.J.
Deposit date:2016-06-03
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit.
J. Biol. Chem., 291, 2016
5K8S
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BU of 5k8s by Molmil
cAMP bound PfPKA-R (297-441)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CAMP-dependent protein kinase regulatory subunit
Authors:Littler, D.R, Gilson, P.R, Crabb, B.S, Rossjohn, J.J.
Deposit date:2016-05-31
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit.
J. Biol. Chem., 291, 2016
3TOA
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BU of 3toa by Molmil
Human MOF crystal structure with active site lysine partially acetylated
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO6
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BU of 3to6 by Molmil
Crystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor
Descriptor: CARBOXYMETHYL COENZYME *A, Histone H4, Histone acetyltransferase ESA1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TOB
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BU of 3tob by Molmil
Human MOF E350Q crystal structure with active site lysine partially acetylated
Descriptor: CHLORIDE ION, ZINC ION, histone acetyltransferase MYST1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO9
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BU of 3to9 by Molmil
Crystal structure of yeast Esa1 E338Q HAT domain bound to coenzyme A with active site lysine acetylated
Descriptor: 1,2-ETHANEDIOL, CACODYLIC ACID, COENZYME A, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2012-01-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO7
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BU of 3to7 by Molmil
Crystal structure of yeast Esa1 HAT domain bound to coenzyme A with active site lysine acetylated
Descriptor: CACODYLIC ACID, COENZYME A, GLYCEROL, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
6XQA
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BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2020-07-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
5N29
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BU of 5n29 by Molmil
An improved model of the Trypanosoma brucei CTP synthase glutaminase domain:acivicin complex.
Descriptor: CHLORIDE ION, CTP synthase
Authors:de Souza, J, Dawson, A, Hunter, W.
Deposit date:2017-02-07
Release date:2017-04-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Improved Model of the Trypanosoma brucei CTP Synthetase Glutaminase Domain-Acivicin Complex.
ChemMedChem, 12, 2017
6PBH
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BU of 6pbh by Molmil
Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-68 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-06-13
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Challenging immunodominance of influenza-specific CD8+T cell responses restricted by the risk-associated HLA-A*68:01 allomorph.
Nat Commun, 10, 2019
5EXH
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BU of 5exh by Molmil
Crystal structure of mTET3-CXXC domain in complex with 5-carboxylcytosine DNA at 1.3 Angstroms resolution.
Descriptor: DNA (5'-D(*GP*AP*AP*TP*CP*(1CC)P*GP*GP*AP*TP*TP*C)-3'), Methylcytosine dioxygenase TET3, ZINC ION
Authors:Song, J.
Deposit date:2015-11-23
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tet3 Reads 5-Carboxylcytosine through Its CXXC Domain and Is a Potential Guardian against Neurodegeneration.
Cell Rep, 14, 2016
5TPX
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BU of 5tpx by Molmil
Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
8GSS
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BU of 8gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
6NF7
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BU of 6nf7 by Molmil
Crystal Structure of RT1.Aa-Bu31-10
Descriptor: Beta-2-microglobulin, Bu31-10 peptide, RT1A.a
Authors:Gras, S.
Deposit date:2018-12-19
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cross-Reactive Donor-Specific CD8+Tregs Efficiently Prevent Transplant Rejection.
Cell Rep, 29, 2019
6UKT
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BU of 6ukt by Molmil
Cryo-EM structure of mammalian Ric-8A:Galpha(i):nanobody complex
Descriptor: Guanine nucleotide-binding protein G(i) subunit alpha-1, NB8109, NB8117, ...
Authors:Mou, T.C, Zhang, K, Johnston, J.D, Chiu, W, Sprang, S.R.
Deposit date:2019-10-05
Release date:2020-03-11
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structure of the G protein chaperone and guanine nucleotide exchange factor Ric-8A bound to G alpha i1.
Nat Commun, 11, 2020
5N1Y
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BU of 5n1y by Molmil
HLA-A02 carrying MVWGPDPLYV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2017-02-06
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J. Clin. Invest., 126, 2016
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
Descriptor: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
9GSS
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BU of 9gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
6PYV
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BU of 6pyv by Molmil
Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-2703 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PYW
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BU of 6pyw by Molmil
Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PYL
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BU of 6pyl by Molmil
Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PZ5
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BU of 6pz5 by Molmil
Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B*27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019

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