Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5U17
DownloadVisualize
BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U2V
DownloadVisualize
BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U6Q
DownloadVisualize
BU of 5u6q by Molmil
Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR
分子名称: 3-methanoyl-2-oxidanyl-benzoic acid, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-08
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U1R
DownloadVisualize
BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
3KXF
DownloadVisualize
BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
登録日2009-12-03
公開日2010-06-09
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
3KYN
DownloadVisualize
BU of 3kyn by Molmil
Crystal structure of HLA-G presenting KGPPAALTL peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, COBALT (II) ION, ...
著者Walpole, N.G, Rossjohn, J, Clements, C.S.
登録日2009-12-06
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure and stability of the monomorphic HLA-G are influenced by the nature of the bound peptide
J.Mol.Biol., 397, 2010
3KYO
DownloadVisualize
BU of 3kyo by Molmil
Crystal structure of HLA-G presenting KLPAQFYIL peptide
分子名称: Beta-2-microglobulin, COBALT (II) ION, KLPAQFYIL peptide, ...
著者Walpole, N.G, Rossjohn, J, Clements, C.S.
登録日2009-12-06
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure and stability of the monomorphic HLA-G are influenced by the nature of the bound peptide
J.Mol.Biol., 397, 2010
3KWW
DownloadVisualize
BU of 3kww by Molmil
Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide
分子名称: ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
登録日2009-12-01
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
5U16
DownloadVisualize
BU of 5u16 by Molmil
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2016-11-27
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
4NUN
DownloadVisualize
BU of 4nun by Molmil
Crystal structure of copper-bound Na-ASP-2
分子名称: Ancylostoma secreted protein 2, COPPER (II) ION
著者Hofmann, A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
4NUO
DownloadVisualize
BU of 4nuo by Molmil
Crystal structure of zinc-bound Na-ASP-2
分子名称: Ancylostoma secreted protein 2, ZINC ION
著者Hofmann, A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
4NUK
DownloadVisualize
BU of 4nuk by Molmil
Crystal structure of nickel-bound Na-ASP-2
分子名称: Ancylostoma secreted protein 2, NICKEL (II) ION
著者Hofmann, A.
登録日2013-12-03
公開日2014-05-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
2RFX
DownloadVisualize
BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
登録日2007-10-02
公開日2008-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
4AG3
DownloadVisualize
BU of 4ag3 by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL
著者Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
登録日2012-01-24
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4AFN
DownloadVisualize
BU of 4afn by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL
著者Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
登録日2012-01-20
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
5UG8
DownloadVisualize
BU of 5ug8 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UG9
DownloadVisualize
BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGC
DownloadVisualize
BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
7T79
DownloadVisualize
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
分子名称: 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
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
DownloadVisualize
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
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
5UGA
DownloadVisualize
BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGB
DownloadVisualize
BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
3TO4
DownloadVisualize
BU of 3to4 by Molmil
Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide
分子名称: 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, ...
著者Patel, O, Rossjohn, J.
登録日2011-09-04
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
4DZB
DownloadVisualize
BU of 4dzb by Molmil
Mucosal-associated invariant T cell receptor, Valpha7.2Jalpha33-Vbeta2
分子名称: Valpha7.2-Jalpha33 (MAIT T cell receptor), Vbeta2 (MAIT T cell receptor)
著者Patel, O, Rossjohn, J.
登録日2012-03-01
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into MR1-mediated recognition of the mucosal associated invariant T cell receptor.
J.Exp.Med., 209, 2012
4OC7
DownloadVisualize
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
分子名称: (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
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon