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6AVG
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BU of 6avg by Molmil
Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex
分子名称: ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Gully, B.S, Gras, S, Rossjohn, J.
登録日2017-09-02
公開日2018-02-28
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
著者Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
登録日2014-07-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
分子名称: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ...
著者Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
登録日2014-07-02
公開日2014-11-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
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
分子名称: Beta-2-microglobulin, Cancer/testis antigen 1 peptide, HLA class I histocompatibility antigen, ...
著者Gully, B.S, Rossjohn, J.
登録日2017-08-27
公開日2018-02-28
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
2PO6
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BU of 2po6 by Molmil
Crystal structure of CD1d-lipid-antigen complexed with Beta-2-Microglobulin, NKT15 Alpha-Chain and NKT15 Beta-Chain
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, Beta-2-microglobulin, ...
著者Borg, N.A.
登録日2007-04-25
公開日2007-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献CD1d-lipid-antigen recognition by the semi-invariant NKT T-cell receptor.
Nature, 448, 2007
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
分子名称: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Patel, O, Rossjohn, J.
登録日2011-05-05
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2YG2
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BU of 2yg2 by Molmil
Structure of apolioprotein M in complex with Sphingosine 1-Phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, APOLIPOPROTEIN M, CITRATE ANION
著者Christoffersen, C, Obinata, H, Gowda, S, Galvani, S, Ahnstrom, J, Sevvana, M, Egerer-Sieber, C, Muller, Y.A, Hla, T, Nielsen, L, Dahlback, B.
登録日2011-04-11
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Endothelium-Protective Sphingosine-1-Phosphate Provided by Hdl-Associated Apolipoprotein M.
Proc.Natl.Acad.Sci.USA, 108, 2011
5U3B
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BU of 5u3b by Molmil
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5U39
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BU of 5u39 by Molmil
Pseudomonas aeruginosa LpxC in complex with CHIR-090
分子名称: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
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
分子名称: 11-mer peptide from S-methyl-5'-thioadenosine phosphorylase, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Gras, S, Rossjohn, J.
登録日2010-02-02
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
6ENQ
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BU of 6enq by Molmil
Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337)
分子名称: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma
著者Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D.
登録日2017-10-06
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate.
J. Med. Chem., 61, 2018
7ZZY
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BU of 7zzy by Molmil
Solution BcsD structure
分子名称: Cellulose biosynthesis protein
著者Krasteva, P.V, Abidi, W, Decossas, M.
登録日2022-05-26
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Bacterial crystalline cellulose secretion via a supramolecular BcsHD scaffold.
Sci Adv, 8, 2022
7ZZQ
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BU of 7zzq by Molmil
BcsH-BcsD 'beads-on-a-string' filament, local refine
分子名称: BcsH fragment, Cellulose biosynthesis protein
著者Krasteva, P.V, Abidi, W, Decossas, M.
登録日2022-05-26
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Bacterial crystalline cellulose secretion via a supramolecular BcsHD scaffold.
Sci Adv, 8, 2022
2H6P
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BU of 2h6p by Molmil
Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY
分子名称: 9 mer peptide from Cytochrome P450, Beta-2-microglobulin, HLA-B35
著者Archbold, J.K, Macdonald, W.A, Rossjohn, J.
登録日2006-05-31
公開日2006-09-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alloreactivity between disparate cognate and allogeneic pMHC-I complexes is the result of highly focused, peptide-dependent structural mimicry
J.Biol.Chem., 281, 2006
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
分子名称: 16-mer peptide from Heterogeneous nuclear ribonucleoproteins C1/C2, ACETATE ION, Beta-2-microglobulin, ...
著者Theodossis, A, Gras, S, Rossjohn, J.
登録日2010-02-01
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
3OF6
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BU of 3of6 by Molmil
Human pre-T cell receptor crystal structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pre T-cell antigen receptor alpha, T cell receptor beta chain
著者Pang, S.S.
登録日2010-08-13
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structural basis for autonomous dimerization of the pre-T-cell antigen receptor
Nature, 467, 2010
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
分子名称: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
分子名称: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
7MPZ
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BU of 7mpz by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9
分子名称: CRISPR-associated endonuclease Cas9
著者D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
登録日2021-05-05
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and dynamic insights into the HNH nuclease of divergent Cas9 species.
J.Struct.Biol., 214, 2021
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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BU of 3kwz by Molmil
Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
6CGH
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BU of 6cgh by Molmil
Solution structure of the four-helix bundle region of human J-protein Zuotin, a component of ribosome-associated complex (RAC)
分子名称: DnaJ homolog subfamily C member 2
著者Shrestha, O.K, Lee, W, Tonelli, M, Cornilescu, G, Markley, J.L, Ciesielski, S.J, Craig, E.A.
登録日2018-02-20
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70.
Plos One, 14, 2019
2W67
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BU of 2w67 by Molmil
BtGH84 in complex with FMA34
分子名称: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ...
著者He, Y, Davies, G.J.
登録日2008-12-17
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2W66
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BU of 2w66 by Molmil
BtGH84 in complex with HQ602
分子名称: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
著者He, Y, Davies, G.J.
登録日2008-12-17
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009

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