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4Z9I	Asp-TarS from E. coli Descriptor: ASPARTIC ACID, Methyl-accepting chemotaxis protein II Authors: Mise, T. Deposit date: 2015-04-10 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Structural Analysis of the Ligand-Binding Domain of the Aspartate Receptor Tar from Escherichia coli Biochemistry, 55, 2016
4Z9H	Asp-Tar from E. coli Descriptor: ASPARTIC ACID, Methyl-accepting chemotaxis protein II Authors: Mise, T. Deposit date: 2015-04-10 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.452 Å) Cite: Structural Analysis of the Ligand-Binding Domain of the Aspartate Receptor Tar from Escherichia coli Biochemistry, 55, 2016
3V5K	HLA2.1 KVAELVWFL Descriptor: Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAELVWFL, ... Authors: Collins, E.J, Lee, H.Y. Deposit date: 2011-12-16 Release date: 2012-12-19 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Prediction of Immunogenicity of altered-peptide ligands to HIV bound to MHC To be Published
2Y7O	Structure of N-terminal domain of Candida albicans als9-2 - G299W mutant Descriptor: AGGLUTININ-LIKE ALS9 PROTEIN Authors: Salgado, P.S, Burchell, L, Cota, E. Deposit date: 2011-01-31 Release date: 2011-10-05 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural Basis for the Broad Specificity to Host- Cell Ligands by the Pathogenic Fungus Candida Albicans. Proc.Natl.Acad.Sci.USA, 108, 2011
3V5H	HLA-A2.1 KVAEIVHFL Descriptor: Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAEIVHFL, ... Authors: Collins, E.J, Lee, H.Y. Deposit date: 2011-12-16 Release date: 2012-12-05 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Prediction of immunogenicity of altered-peptide ligands for HIV therapy To be Published
3KYR	Bace-1 in complex with a norstatine type inhibitor Descriptor: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 Authors: Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. Deposit date: 2009-12-07 Release date: 2010-12-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs To be Published
2Y7N	Structure of N-terminal domain of Candida albicans als9-2 - Apo Form Descriptor: AGGLUTININ-LIKE ALS9 PROTEIN Authors: Salgado, P.S, Cota, E. Deposit date: 2011-01-31 Release date: 2011-10-05 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for the Broad Specificity to Host- Cell Ligands by the Pathogenic Fungus Candida Albicans. Proc.Natl.Acad.Sci.USA, 108, 2011
4Z9J	Apo-Tar from E. coli Descriptor: Methyl-accepting chemotaxis protein II Authors: Mise, T. Deposit date: 2015-04-10 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Structural Analysis of the Ligand-Binding Domain of the Aspartate Receptor Tar from Escherichia coli Biochemistry, 55, 2016
2DAY	Solution structure of the RWD domain of human ring finger protein 25 Descriptor: RING finger protein 25 Authors: Yoneyama, M, Kigawa, T, Sato, M, Tochio, N, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-12-14 Release date: 2006-06-14 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of the RWD domain of human ring finger protein 25 To be Published
1TFC	CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ESTROGEN-RELATED RECEPTOR GAMMA IN COMPLEX WITH A STEROID RECEPTOR COACTIVATOR-1 PEPTIDE Descriptor: Estrogen-related receptor gamma, steroid receptor coactivator-1 Authors: Greschik, H, Flaig, R, Renaud, J.P, Moras, D. Deposit date: 2004-05-27 Release date: 2004-07-27 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
3VHV	Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist Descriptor: 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... Authors: Sogabe, S, Habuka, N. Deposit date: 2011-09-07 Release date: 2011-12-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists J.Med.Chem., 54, 2011
5LSP	107_A07 Fab in complex with fragment of the Met receptor Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J. Deposit date: 2016-09-05 Release date: 2017-09-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.605 Å) Cite: Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain. Sci Rep, 7, 2017
6AAL	Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Arginine Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ... Authors: Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. Deposit date: 2018-07-18 Release date: 2019-06-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
1E60	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-06 Release date: 2000-08-25 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
2ILM	Factor Inhibiting HIF-1 Alpha D201A Mutant in Complex with FE(II), Alpha-Ketoglutarate and HIF-1 Alpha 35mer Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, FE (II) ION, ... Authors: Mcdonough, M.A, Schofield, C.J. Deposit date: 2006-10-03 Release date: 2007-08-14 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH). J.Biol.Chem., 283, 2008
4ZTD	Crystal Structure of Human PCNA in complex with a TRAIP peptide Descriptor: ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen Authors: Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A. Deposit date: 2015-05-14 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.199 Å) Cite: TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress. J.Cell Biol., 212, 2016
1X26	Solution structure of the AA-mismatch DNA complexed with naphthyridine-azaquinolone Descriptor: 5'-D(*CP*AP*TP*TP*CP*AP*GP*TP*TP*AP*G)-3', 5'-D(*CP*TP*AP*AP*CP*AP*GP*AP*AP*TP*G)-3', N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE Authors: Nakatani, K, Hagihara, S, Goto, Y, Kobori, A, Hagihara, M, Hayashi, G, Kyo, M, Nomura, M, Mishima, M, Kojima, C. Deposit date: 2005-04-20 Release date: 2006-04-04 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Small-molecule ligand induces nucleotide flipping in (CAG)n trinucleotide repeats Nat.Chem.Biol., 1, 2005
3VQU	CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION Authors: Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. Deposit date: 2012-03-30 Release date: 2012-06-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
1E61	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-06 Release date: 2000-08-25 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
4LBW	Identifying ligand binding hot spots in proteins using brominated fragments Descriptor: AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... Authors: Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. Deposit date: 2013-06-21 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.741 Å) Cite: Identifying ligand-binding hot spots in proteins using brominated fragments. Acta Crystallogr.,Sect.F, 69, 2013
1OL1	Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 Descriptor: CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 Authors: Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. Deposit date: 2003-08-04 Release date: 2003-12-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OL2	Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 Descriptor: ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 Authors: Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. Deposit date: 2003-08-05 Release date: 2003-12-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
2Z4P	Crystal structure of FFRP-DM1 Descriptor: 75aa long hypothetical regulatory protein AsnC, ISOLEUCINE Authors: Yamada, M, Koike, H, Kudo, N, Suzuki, M. Deposit date: 2007-06-21 Release date: 2007-09-18 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: A Structural Code for Discriminating between Transcription Signals Revealed by the Feast/Famine Regulatory Protein DM1 in Complex with Ligands Structure, 15, 2007
1OKW	Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 Descriptor: ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 Authors: Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. Deposit date: 2003-07-31 Release date: 2003-12-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
6EYK	E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 Descriptor: (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. Deposit date: 2017-11-13 Release date: 2018-11-21 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.21 Å) Cite: E-selectin lectin with different glycomimetic ligands To Be Published

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