4BS9
| Structure of the heterocyclase TruD | Descriptor: | TRUD, ZINC ION | Authors: | Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H. | Deposit date: | 2013-06-09 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction. Angew.Chem.Int.Ed.Engl., 52, 2013
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2XX7
| Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | Descriptor: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-09 | Release date: | 2011-04-06 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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6BWA
| Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BWB
| Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 3 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BW9
| Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6NZN
| Dimer-of-dimer amyloid fibril structure of glucagon | Descriptor: | Glucagon | Authors: | Gelenter, M.D, Smith, K.J, Liao, S.Y, Mandala, V.S, Dregni, A.J, Lamm, M.S, Tian, Y, Wei, X, Pochan, D.J, Tucker, T.J, Su, Y, Hong, M. | Deposit date: | 2019-02-14 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations. Nat.Struct.Mol.Biol., 26, 2019
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2XXI
| Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | Descriptor: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-10 | Release date: | 2011-04-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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2XX9
| Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-09 | Release date: | 2011-04-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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7JJL
| Crystal structure of Importin Alpha 3 in complex with human LSD1 NLS | Descriptor: | Importin subunit alpha-3, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McCuaig, R, Tan, H.Y.A, Hardy, K, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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2XXH
| Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution. | Descriptor: | 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-10 | Release date: | 2011-04-06 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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6BW1
| Hendra virus W protein C-terminus in complex with Importin alpha 1 | Descriptor: | Importin subunit alpha-1, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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2XX8
| Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-09 | Release date: | 2011-04-27 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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4PTU
| Crystal Structure of anti-23F strep Fab C05 with rhamnose | Descriptor: | ACETATE ION, Antibody pn132p2C05, heavy chain, ... | Authors: | Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F. | Deposit date: | 2014-03-11 | Release date: | 2015-03-04 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. J. Immunol., 196, 2016
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4PTT
| Crystal Structure of anti-23F strep Fab C05 | Descriptor: | ACETATE ION, Antibody pn132p2C05, heavy chain, ... | Authors: | Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F. | Deposit date: | 2014-03-11 | Release date: | 2015-03-11 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. J. Immunol., 196, 2016
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2XFI
| Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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2XFJ
| Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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2XFK
| Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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5W41
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1AGB
| ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION) | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION) | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | Deposit date: | 1997-03-24 | Release date: | 1997-06-16 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8. J.Exp.Med., 184, 1996
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1AGC
| ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION) | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION) | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | Deposit date: | 1997-03-24 | Release date: | 1997-06-16 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8. J.Exp.Med., 184, 1996
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1AGF
| ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKRYKL-5R MUTATION) | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKRYKL - 5R MUTATION) | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | Deposit date: | 1997-03-24 | Release date: | 1997-06-16 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8. J.Exp.Med., 184, 1996
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1AGD
| ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE) | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYKL - INDEX PEPTIDE) | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | Deposit date: | 1997-03-24 | Release date: | 1997-06-16 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8. J.Exp.Med., 184, 1996
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1AGE
| ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION) | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYRL - 7R MUTATION) | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | Deposit date: | 1997-03-24 | Release date: | 1997-06-16 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8. J.Exp.Med., 184, 1996
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7YXU
| Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | Descriptor: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | Authors: | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | Deposit date: | 2022-02-16 | Release date: | 2023-01-25 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies. Mol.Cancer Ther., 22, 2023
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1B0R
| CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP | Descriptor: | PROTEIN (HLA-A*0201), PROTEIN (INFLUENZA MATRIX PEPTIDE) | Authors: | Bouvier, M, Guo, H, Smith, K.J, Wiley, D.C. | Deposit date: | 1998-11-12 | Release date: | 1999-11-25 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HLA-A*0201 complexed with antigenic peptides with either the amino- or carboxyl-terminal group substituted by a methyl group. Proteins, 33, 1998
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