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2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
Deposit date:2007-10-02
Release date:2008-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
3HE7
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BU of 3he7 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta7 NKT TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
1AGJ
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BU of 1agj by Molmil
EPIDERMOLYTIC TOXIN A FROM STAPHYLOCOCCUS AUREUS
Descriptor: EPIDERMOLYTIC TOXIN A
Authors:Cavarelli, J.
Deposit date:1997-03-25
Release date:1997-09-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of Staphylococcus aureus epidermolytic toxin A, an atypic serine protease, at 1.7 A resolution.
Structure, 5, 1997
4NQD
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BU of 4nqd by Molmil
Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4NQC
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BU of 4nqc by Molmil
Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4NQE
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BU of 4nqe by Molmil
Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
3LN4
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BU of 3ln4 by Molmil
Crystal structure of HLA-B*4103 in complex with a 16mer self-peptide derived from heterogeneous nuclear ribonucleoproteins C1/C2
Descriptor: 16-mer peptide from Heterogeneous nuclear ribonucleoproteins C1/C2, ACETATE ION, Beta-2-microglobulin, ...
Authors:Theodossis, A, Gras, S, Rossjohn, J.
Deposit date:2010-02-01
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
3LN5
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BU of 3ln5 by Molmil
Crystal structure of HLA-B*4104 in complex with a 11mer self-peptide derived from S-methyl-5-thioadenosine phosphorylase
Descriptor: 11-mer peptide from S-methyl-5'-thioadenosine phosphorylase, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Theodossis, A, Gras, S, Rossjohn, J.
Deposit date:2010-02-02
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
2NX5
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BU of 2nx5 by Molmil
Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A
Descriptor: Beta-2-microglobulin, EBV peptide, EPLPQGQLTAY, ...
Authors:Tynan, F.E, Reid, H.H, Rossjohn, J.
Deposit date:2006-11-16
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
2NW2
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BU of 2nw2 by Molmil
Crystal structure of ELS4 TCR at 1.4A
Descriptor: ELS4 TCR alpha chain, ELS4 TCR beta chain
Authors:Tynan, F.E, Reid, H.H, Rossjohn, J.
Deposit date:2006-11-14
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
2NW3
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BU of 2nw3 by Molmil
Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A
Descriptor: Beta-2-microglobulin, EBV peptide EPLPQGQLTAY, HLA class I histocompatibility antigen, ...
Authors:Tynan, F.E, Reid, H.H, Rossjohn, J.
Deposit date:2006-11-14
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
Descriptor: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
5FPA
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BU of 5fpa by Molmil
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
Descriptor: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
Descriptor: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
3AXL
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BU of 3axl by Molmil
Murine Valpha 10 Vbeta 8.1 T-cell receptor
Descriptor: Valpha 10, Vbeta 8.1
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-04-11
Release date:2011-08-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
1HFS
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BU of 1hfs by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004
Descriptor: 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID, CALCIUM ION, STROMELYSIN-1, ...
Authors:Becker, J.W.
Deposit date:1997-02-13
Release date:1998-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of stromelysin-1 (MMP-3) by P1'-biphenylylethyl carboxyalkyl dipeptides.
J.Med.Chem., 40, 1997
4AFN
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BU of 4afn by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL
Authors:Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
Deposit date:2012-01-20
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
Descriptor: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
Deposit date:2014-01-08
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
6AVF
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BU of 6avf by Molmil
Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex
Descriptor: ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gully, B.S, Gras, S, Rossjohn, J.
Deposit date:2017-09-02
Release date:2018-02-28
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.028 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
6AT5
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BU of 6at5 by Molmil
Crystal structure of HLA-B*07:02 in complex with an NY-ESO-1 peptide
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1 peptide, HLA class I histocompatibility antigen, ...
Authors:Gully, B.S, Rossjohn, J.
Deposit date:2017-08-27
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
6AT6
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BU of 6at6 by Molmil
Crystal structure of the KFJ5 TCR
Descriptor: T-cell receptor alpha variable 4, T-cell receptor, sp3.4 alpha chain chimera, ...
Authors:Gully, B.S, Rossjohn, J.
Deposit date:2017-08-28
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018

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