1RIH
 
 | | Crystal Structure of Fab 14F7, a unique anti-tumor antibody specific for N-glycolyl GM3 | | Descriptor: | heavy chain of antibody 14F7, light chain of antibody 14F7 | | Authors: | Krengel, U, Olsson, L.-L, Martinez, C, Talavera, A, Rojas, G, Mier, E, Angstrom, J, Moreno, E. | | Deposit date: | 2003-11-17 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Molecular Interactions of a Unique Antitumor Antibody Specific for N-Glycolyl GM3.
J.Biol.Chem., 279, 2004
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3CRU
 | | Structural characterization of an engineered allosteric protein | | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Sagermann, M, Chapleau, R, DeLorimier, E, Lei, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
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3CRT
 | | Structural characterization of an engineered allosteric protein | | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Sagermann, M, Chapleau, R, DeLorimier, E, Lei, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
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3FON
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFEAI | | Descriptor: | Beta-2-microglobulin, MHC, Peptide | | Authors: | Malashkevich, V.N, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Brims, D.R, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
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3FOL
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFERI | | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, MHC | | Authors: | Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect
Int.Immunol., 22, 2010
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3FOM
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide IQQSIERL | | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
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1INQ
 | | Structure of Minor Histocompatibility Antigen peptide, H13a, complexed to H2-Db | | Descriptor: | BETA-2 MICROGLOBULIN, DIMETHYL SULFOXIDE, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D, Nathenson, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2002-03-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination.
J.Immunol., 168, 2002
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1JUF
 | | Structure of Minor Histocompatibility Antigen peptide, H13b, complexed to H2-Db | | Descriptor: | Beta-2-microglobulin, H13b peptide, H2-Db major histocompatibility antigen | | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D.C, Nathenson, S.G. | | Deposit date: | 2001-08-24 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination.
J.Immunol., 168, 2002
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4PCJ
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5UYU
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | | Descriptor: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M, Sickmier, E.A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
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5UX4
 | | Crystal Structure of Rat Cathepsin D with (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro- 7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3- c]pyridine-5,4'-[1,3]oxazol]-2'-amine | | Descriptor: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sickmier, A. | | Deposit date: | 2017-02-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
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5DDB
 | | Menin in complex with MI-319 | | Descriptor: | 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDE
 | | Menin in complex with MI-859 | | Descriptor: | 1,2-ETHANEDIOL, 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDF
 | | Menin in complex with MI-273 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DD9
 | | Menin in complex with MI-326 | | Descriptor: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDD
 | | menin in complex with MI-836 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDC
 | | Menin in complex with MI-2-3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDA
 | | Menin in complex with MI-333 | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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4F58
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4F57
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3D0Z
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