2NC9
 
 | | Apo solution structure of Hop TPR2A | | Descriptor: | Stress-induced-phosphoprotein 1 | | Authors: | Darby, J.F, Vidler, L.R, Simpson, P.J, Matthews, S.J, Sharp, S.Y, Pearl, L.H, Hoelder, S, Workman, P. | | Deposit date: | 2016-03-23 | | Release date: | 2017-03-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches.
Sci Rep, 10, 2020
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2NQ3
 | | Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase | | Descriptor: | CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published
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1L0H
 | | CRYSTAL STRUCTURE OF BUTYRYL-ACP FROM E.COLI | | Descriptor: | ACYL CARRIER PROTEIN, ZINC ION | | Authors: | Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B. | | Deposit date: | 2002-02-11 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic studies on butyryl-ACP reveal flexibility of the structure around a putative acyl chain binding site
Structure, 10, 2002
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2JIP
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | 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, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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2JIO
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | 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, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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2N2Q
 | | NMR solution structure of HsAFP1 | | Descriptor: | Defensin-like protein 1 | | Authors: | Harvey, P.J, Craik, D.J, Vriens, K. | | Deposit date: | 2015-05-11 | | Release date: | 2015-07-22 | | Last modified: | 2015-08-19 | | Method: | SOLUTION NMR | | Cite: | Synergistic Activity of the Plant Defensin HsAFP1 and Caspofungin against Candida albicans Biofilms and Planktonic Cultures.
Plos One, 10, 2015
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2JIQ
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | 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, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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2JIM
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | 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, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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2NQA
 | | Catalytic Domain of Human Calpain 8 | | Descriptor: | CALCIUM ION, Calpain-8, Leupeptin Inhibitor | | Authors: | Davis, T.L, Paramanathan, R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Human Calpain 8
To be Published
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2PZX
 | | Structure of the methuselah ectodomain with peptide inhibitor | | Descriptor: | G-protein coupled receptor Mth | | Authors: | West Jr, A.P, Ja, W.W, Delker, S.L, Bjorkman, P.J, Benzer, S, Roberts, R.W. | | Deposit date: | 2007-05-18 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor.
Nat.Chem.Biol., 3, 2007
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2LP1
 | | The solution NMR structure of the transmembrane C-terminal domain of the amyloid precursor protein (C99) | | Descriptor: | C99 | | Authors: | Barrett, P.J, Song, Y, Van Horn, W.D, Hustedt, E.J, Schafer, J.M, Hadziselimovic, A, Beel, A.J, Sanders, C.R. | | Deposit date: | 2012-01-30 | | Release date: | 2012-06-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The amyloid precursor protein has a flexible transmembrane domain and binds cholesterol.
Science, 336, 2012
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1HEW
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2PYE
 | | Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Beta-2-microglobulin, Cancer/testis antigen 1B, ... | | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | | Deposit date: | 2007-05-16 | | Release date: | 2007-09-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
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8V52
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7S0D
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7S0E
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5MTR
 | | Crystal structure of M. tuberculosis InhA inhibited by PT512 | | Descriptor: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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5MEO
 | | Human Leukocyte Antigen presenting ILGKFLHRL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.772 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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7SB8
 | | d(GA(CGA)5) parallel-stranded homo-duplex | | Descriptor: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | | Authors: | Luteran, E.M, Paukstelis, P.J. | | Deposit date: | 2021-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.317 Å) | | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022
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7S0B
 | | Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ... | | Authors: | Tanaka, S, Barnes, C.O, Bjorkman, P.J. | | Deposit date: | 2021-08-30 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
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7S0C
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3GQF
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5MTQ
 | | Crystal structure of M. tuberculosis InhA inhibited by PT511 | | Descriptor: | 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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3GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | Deposit date: | 1999-04-26 | | Release date: | 2000-04-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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7RUD
 | | DAHP synthase complex with trifluoropyruvate oxime | | Descriptor: | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive | | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | | Deposit date: | 2021-08-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
Acs Infect Dis., 7, 2021
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