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3FXR
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Crystal structure of TsaR in complex with sulfate
Descriptor: ASCORBIC ACID, GLYCEROL, LysR type regulator of tsaMBCD, ...
Authors:Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
6F59
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BU of 6f59 by Molmil
Crystal structure of human Brachyury (T) G177D variant in complex with DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ...
Authors:Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Crystal structure of human Brachyury (T) G177D variant in complex with DNA
To Be Published
3FZJ
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BU of 3fzj by Molmil
TsaR low resolution crystal structure, tetragonal form
Descriptor: LysR type regulator of tsaMBCD
Authors:Monferrer, D, Tralau, T, Kertesz, M.A, Dix, I, Kikhney, A.G, Svergun, D.I, Uson, I.
Deposit date:2009-01-26
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (7.1 Å)
Cite:Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
1T0M
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BU of 1t0m by Molmil
Conformational switch in polymorphic H-2K molecules containing an HSV peptide
Descriptor: Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ...
Authors:Webb, A.I, Borg, N.A, Dunstone, M.A, Kjer-Nielsen, L, Beddoe, T, McCluskey, J, Carbone, F.R, Bottomley, S.P, Purcell, A.W, Rossjohn, J.
Deposit date:2004-04-12
Release date:2004-11-23
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of H-2K(b) and K(bm8) complexed to a herpes simplex virus determinant: evidence for a conformational switch that governs T cell repertoire selection and viral resistance.
J Immunol., 173, 2004
1T0N
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BU of 1t0n by Molmil
Conformational switch in polymorphic H-2K molecules containing an HSV peptide
Descriptor: Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ...
Authors:Webb, A.I, Borg, N.A, Dunstone, M.A, Kjer-Nielsen, L, Beddoe, T, McCluskey, J, Carbone, F.R, Bottomley, S.P, Purcell, A.W, Rossjohn, J.
Deposit date:2004-04-12
Release date:2004-11-23
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of H-2K(b) and K(bm8) complexed to a herpes simplex virus determinant: evidence for a conformational switch that governs T cell repertoire selection and viral resistance.
J Immunol., 173, 2004
1ZHK
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BU of 1zhk by Molmil
Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY
Descriptor: Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ...
Authors:Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J.
Deposit date:2005-04-26
Release date:2005-05-17
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance
J.Biol.Chem., 280, 2005
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
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
Descriptor: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-06-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3TIE
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BU of 3tie by Molmil
Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC CLASS I H-2 KB
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Nguyen, T.T, Shen, Z.T, Stern, L.J.
Deposit date:2011-08-20
Release date:2012-08-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Disparate epitopes mediating protective heterologous immunity to unrelated viruses share peptide-MHC structural features recognized by cross-reactive T cells.
J.Immunol., 191, 2013
3TID
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BU of 3tid by Molmil
Crystal structure of the LCMV derived peptide GP34 in complex with the murine mhc class I H-2 Kb
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Nguyen, T.T, Shen, Z.T, Stern, L.J.
Deposit date:2011-08-20
Release date:2012-08-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disparate epitopes mediating protective heterologous immunity to unrelated viruses share peptide-MHC structural features recognized by cross-reactive T cells.
J.Immunol., 191, 2013
2BNR
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BU of 2bnr by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-03-31
Release date:2005-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
2BNQ
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BU of 2bnq by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-03-31
Release date:2005-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
1KMY
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BU of 1kmy by Molmil
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 2,3-dihydroxybiphenyl under Anaerobic Condition
Descriptor: 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, BIPHENYL-2,3-DIOL, FE (II) ION, ...
Authors:Han, S, Bolin, J.T.
Deposit date:2001-12-17
Release date:2002-02-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the stabilization and inhibition of 2, 3-dihydroxybiphenyl 1,2-dioxygenase by t-butanol.
J.Biol.Chem., 273, 1998
5SWZ
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BU of 5swz by Molmil
Crystal Structure of NP1-B17 TCR-H2Db-NP complex
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J.
Deposit date:2016-08-09
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response.
Immunity, 45, 2016
3WS6
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BU of 3ws6 by Molmil
Crystal Structure of H-2D in complex with a mimotopic peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
7XP5
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BU of 7xp5 by Molmil
Cryo-EM structure of a class T GPCR in ligand-free state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP4
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BU of 7xp4 by Molmil
Cryo-EM structure of a class T GPCR in apo state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP6
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BU of 7xp6 by Molmil
Cryo-EM structure of a class T GPCR in active state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
3WS3
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BU of 3ws3 by Molmil
Crystal Structure of H-2D in complex with an insulin derived peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
1MWI
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BU of 1mwi by Molmil
Crystal structure of a MUG-DNA product complex
Descriptor: 5'-D(*CP*GP*CP*GP*AP*GP*(AAB)P*TP*CP*GP*CP*G)-3', G/U mismatch-specific DNA glycosylase
Authors:Barrett, T.E, Savva, R, Panayotou, G, Brown, T, Barlow, T, Jiricny, J, Pearl, L.H.
Deposit date:2002-09-30
Release date:2002-10-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a G:T/U mismatch-specific DNA glycosylase: mismatch recognition by complementary-strand interactions.
Cell(Cambridge,Mass.), 92, 1998
5SWS
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BU of 5sws by Molmil
Crystal Structure of NP2-B17 TCR-H2Db-NP complex
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J.
Deposit date:2016-08-08
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response.
Immunity, 45, 2016
2Z5I
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BU of 2z5i by Molmil
Crystal structure of the head-to-tail junction of tropomyosin
Descriptor: General control protein GCN4 and Tropomyosin alpha-1 chain, MAGNESIUM ION, Tropomyosin alpha-1 chain and General control protein GCN4
Authors:Murakami, K, Nozawa, K, Tomii, K, Kudou, N, Igarashi, N, Shirakihara, Y, Wakatsuki, S, Stewart, M, Yasunaga, T, Wakabayashi, T.
Deposit date:2007-07-12
Release date:2008-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for tropomyosin overlap in thin (actin) filaments and the generation of a molecular swivel by troponin-T
Proc.Natl.Acad.Sci.USA, 105, 2008
3W39
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BU of 3w39 by Molmil
Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-52 alpha chain, ...
Authors:Yagita, Y, Kuse, N, Kuroki, K, Gatanaga, H, Carlson, J.M, Chikata, T, Brumme, Z.L, Murakoshi, H, Akahoshi, T, Pfeifer, N, Mallal, S, John, M, Ose, T, Matsubara, H, Kanda, R, Fukunaga, Y, Honda, K, Kawashima, Y, Ariumi, Y, Oka, S, Maenaka, K, Takiguchi, M.
Deposit date:2012-12-13
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distinct HIV-1 Escape Patterns Selected by Cytotoxic T Cells with Identical Epitope Specificity
J.Virol., 87, 2013
5C6E
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BU of 5c6e by Molmil
Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state
Descriptor: CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2015-06-22
Release date:2016-06-22
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state.
Acta Crystallogr D Struct Biol, 72, 2016
7JH2
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BU of 7jh2 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST
Descriptor: 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile, Nuclear receptor ROR-gamma, SULFATE ION
Authors:Sack, J.S.
Deposit date:2020-07-20
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.367 Å)
Cite:Discovery of 2,6-difluorobenzyl ether series of phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfones as surprisingly potent, selective and orally bioavailable ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020

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