6FUB
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1A1M
| MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE TPYDINQML FROM GAG PROTEIN OF HIV2 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ... | Authors: | Smith, K.J, Reid, S.W, Harlos, K, Mcmichael, A.J, Stuart, D.I, Bell, J.I, Jones, E.Y. | Deposit date: | 1997-12-11 | Release date: | 1998-04-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53. Immunity, 4, 1996
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6G11
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2FF3
| Crystal structure of Gelsolin domain 1:N-wasp V2 motif hybrid in complex with actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Xue, B, Aguda, A.H, Robinson, R.C. | Deposit date: | 2005-12-19 | Release date: | 2006-03-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structural Basis of Actin Interaction with Multiple WH2/beta-Thymosin Motif-Containing Proteins Structure, 14, 2006
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2R9M
| Cathepsin S complexed with Compound 15 | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation To be Published
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2R9O
| Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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2R9N
| Cathepsin S complexed with Compound 26 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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1PDX
| PUTIDAREDOXIN | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | Deposit date: | 1999-02-15 | Release date: | 1999-05-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A refined model for the solution structure of oxidized putidaredoxin. Biochemistry, 38, 1999
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1OSX
| Solution Structure of the Extracellular Domain of BLyS Receptor 3 (BR3) | Descriptor: | Tumor necrosis factor receptor superfamily member 13C | Authors: | Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A. | Deposit date: | 2003-03-20 | Release date: | 2003-05-27 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site Biochemistry, 42, 2003
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3WAA
| The nucleosome containing human H2A.Z.2 | Descriptor: | DNA (146-MER), Histone H2A.V, Histone H2B type 1-J, ... | Authors: | Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H. | Deposit date: | 2013-04-30 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2 Acta Crystallogr.,Sect.D, 69, 2013
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3ZYH
| CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION | Descriptor: | 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2011-08-23 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYB
| CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION | Descriptor: | CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ... | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2011-08-19 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms. Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYF
| CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION | Descriptor: | 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2011-08-22 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms. Angew.Chem.Int.Ed.Engl., 50, 2011
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1OSG
| Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold | Descriptor: | BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B | Authors: | Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A. | Deposit date: | 2003-03-19 | Release date: | 2003-05-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site Biochemistry, 42, 2003
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3TCQ
| Crystal Structure of matrix protein VP40 from Ebola virus Sudan | Descriptor: | Matrix protein VP40 | Authors: | Clifton, M.C, Edwards, T.E, Anderson, V, Atkins, K, Raymond, A, Saphire, E.O, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-08-09 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-resolution Crystal Structure of Dimeric VP40 From Sudan ebolavirus. J Infect Dis, 212 Suppl 2, 2015
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3TTI
| Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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3UW5
| Crystal structure of the BIR domain of MLIAP bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | Authors: | Maurer, B, Hymowitz, S.G. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3WA9
| The nucleosome containing human H2A.Z.1 | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ... | Authors: | Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H. | Deposit date: | 2013-04-30 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2 Acta Crystallogr.,Sect.D, 69, 2013
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4QM0
| Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist | Descriptor: | DIMETHYL SULFOXIDE, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma | Authors: | Boenig, G, Hymowitz, S.G, Wang, W. | Deposit date: | 2014-06-14 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
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4U1A
| Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase helix-10 deletion mutant (ISOB-ECI2) | Descriptor: | CHLORIDE ION, Enoyl-CoA delta isomerase 2 | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2014-07-15 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human Delta (3) , Delta (2) -enoyl-CoA isomerase, type 2: a structural enzymology study on the catalytic role of its ACBP domain and helix-10. Febs J., 282, 2015
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4U18
| Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase (ISO-ECI2) | Descriptor: | CHLORIDE ION, Enoyl-CoA delta isomerase 2, mitochondrial, ... | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2014-07-15 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Human Delta (3) , Delta (2) -enoyl-CoA isomerase, type 2: a structural enzymology study on the catalytic role of its ACBP domain and helix-10. Febs J., 282, 2015
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3TTJ
| Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
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3U30
| Crystal structure of a linear-specific Ubiquitin fab bound to linear ubiquitin | Descriptor: | Heavy chain Fab, Light chain Fab, linear di-ubiquitin | Authors: | Matsumoto, M.L, Dong, K.C, Yu, C, Phu, L, Gao, X, Hannoush, R.N, Hymowitz, S.G, Kirkpatrick, D.S, Dixit, V.M, Kelley, R.F. | Deposit date: | 2011-10-04 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.428 Å) | Cite: | Engineering and structural characterization of a linear polyubiquitin-specific antibody. J.Mol.Biol., 418, 2012
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1RCP
| CYTOCHROME C' | Descriptor: | CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tahirov, T.H, Misaki, S, Meyer, T.E, Cusanovich, M.A, Higuchi, Y, Yasuoka, N. | Deposit date: | 1995-08-23 | Release date: | 1996-06-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution crystal structures of two polymorphs of cytochrome c' from the purple phototrophic bacterium rhodobacter capsulatus. J.Mol.Biol., 259, 1996
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2N02
| Solution structure of the A147T variant of the mitochondrial translocator protein (tspo) in complex with pk11195 | Descriptor: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein | Authors: | Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Integrity of the A147T Polymorph of Mammalian TSPO. Chembiochem, 16, 2015
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