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5HHQ
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BU of 5hhq by Molmil
Crystal Structure of HLA-A*0201 in complex with M1-L3W
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HHM
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BU of 5hhm by Molmil
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HHP
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BU of 5hhp by Molmil
Crystal Structure of HLA-A*0201 in complex with M1-G4E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
Descriptor: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
Descriptor: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
5B38
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BU of 5b38 by Molmil
KIR3DL1*005 in complex with HLA-B*57:01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Rossjohn, J.
Deposit date:2016-02-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Killer cell immunoglobulin-like receptor 3DL1 polymorphism defines distinct hierarchies of HLA class I recognition
J.Exp.Med., 213, 2016
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
Descriptor: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Liu, S.
Deposit date:2015-08-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
5B39
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BU of 5b39 by Molmil
KIR3DL1*015 in complex with HLA-B*57:01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Rossjohn, J.
Deposit date:2016-02-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Killer cell immunoglobulin-like receptor 3DL1 polymorphism defines distinct hierarchies of HLA class I recognition
J.Exp.Med., 213, 2016
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JQ1
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BU of 5jq1 by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
4NE9
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BU of 4ne9 by Molmil
PCSK9 in complex with LDLR peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor, ...
Authors:Liu, S.
Deposit date:2013-10-28
Release date:2014-09-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.
Chem.Biol., 21, 2014
6C09
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BU of 6c09 by Molmil
Ternary crystal structure of the 3C8 TCR-CD1c-monoacylglycerol complex
Descriptor: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wun, K.S, Rossjohn, J.
Deposit date:2017-12-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
6C15
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BU of 6c15 by Molmil
CD1c in complex with phosphatidylcholine
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Wun, K.S, Rossjohn, J.
Deposit date:2018-01-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
4I4W
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BU of 4i4w by Molmil
Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Wooldridge, L, Cole, D.K.
Deposit date:2012-11-28
Release date:2013-01-02
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Peptide length determines the outcome of TCR/peptide-MHCI engagement.
Blood, 121, 2013
4JKW
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BU of 4jkw by Molmil
Structure of the extracellular domain of butyrophilin BTN3A1 in complex with Isopentenyl pyrophosphate (IPP)
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophilin subfamily 3 member A1
Authors:Kumar, A, Mori, L, De Libero, G.
Deposit date:2013-03-12
Release date:2013-07-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Butyrophilin 3A1 binds phosphorylated antigens and stimulates human gamma delta T cells.
Nat.Immunol., 14, 2013
4JRY
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BU of 4jry by Molmil
Crystal Structure of SB47 TCR-HLA B*3505-LPEP complex
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2013-03-22
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Highly divergent T-cell receptor binding modes underlie specific recognition of a bulged viral peptide bound to a human leukocyte antigen class I molecule.
J.Biol.Chem., 288, 2013
4JRX
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BU of 4jrx by Molmil
Crystal Structure of CA5 TCR-HLA B*3505-LPEP complex
Descriptor: Beta-2-microglobulin, CA5 TCR alpha chain, CA5 TCR beta chain, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2013-03-22
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Highly divergent T-cell receptor binding modes underlie specific recognition of a bulged viral peptide bound to a human leukocyte antigen class I molecule.
J.Biol.Chem., 288, 2013
4K55
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BU of 4k55 by Molmil
Structure of the extracellular domain of butyrophilin BTN3A1 in complex with (E)-4-hydroxy-3-methyl-but-2-enyl pyrophosphate (HMBPP)
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
Authors:Kumar, A, Mori, L, De Libero, G.
Deposit date:2013-04-13
Release date:2013-07-24
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Butyrophilin 3A1 binds phosphorylated antigens and stimulates human gamma delta T cells.
Nat.Immunol., 14, 2013
2NAW
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BU of 2naw by Molmil
NMR solution structure of Exendin-4/conotoxin chimera (Ex-4[1-27]/pl14a)
Descriptor: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
Authors:Schroeder, C.I, Swedberg, J.E, Craik, D.J.
Deposit date:2016-01-12
Release date:2016-05-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016
2NAV
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BU of 2nav by Molmil
NMR solution structure of Ex-4[1-16]/pl14a
Descriptor: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
Authors:Schroeder, C.I, Swedberg, J.E, Craik, D.J.
Deposit date:2016-01-11
Release date:2016-05-04
Last modified:2016-08-17
Method:SOLUTION NMR
Cite:Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016
3E6F
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BU of 3e6f by Molmil
MHC CLASS I H-2Dd Heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PA9, from the Human immunodeficiency virus (BaL) envelope glycoprotein 120
Descriptor: BETA-2 MICROGLOBULIN, Envelope glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
Deposit date:2008-08-15
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
3E6H
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BU of 3e6h by Molmil
MHC CLASS I H-2Dd heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PI10, from the human immunodeficiency virus (BaL) envelope glycoprotein 120
Descriptor: Envelope glycoprotein 10-residue peptide, H-2 class I histocompatibility antigen, D-D alpha chain, ...
Authors:Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
Deposit date:2008-08-15
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
4Y1A
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BU of 4y1a by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
Authors:Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015

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PDB entries from 2024-10-09

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