1M32
 
 | | Crystal Structure of 2-aminoethylphosphonate Transaminase | | Descriptor: | 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ... | | Authors: | Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O. | | Deposit date: | 2002-06-26 | | Release date: | 2002-11-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
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2QTR
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2QX9
 | | Crystal Structure of Quinone Reductase II | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2007-08-10 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
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2QTM
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2QIO
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2QX6
 | | Crystal Structure of Quinone Reductase II | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2007-08-10 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
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2QWX
 | | Crystal Structure of Quinone Reductase II | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2007-08-10 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
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6O5Z
 | | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | | Deposit date: | 2019-03-04 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
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3TBY
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3TBT
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4S) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN G1, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3TBS
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX THE WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P,Y4A) | | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCOPROTEIN G1, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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1FI1
 | | FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | | Authors: | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | | Deposit date: | 2000-08-03 | | Release date: | 2001-08-29 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001
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8OV6
 | | Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | | Deposit date: | 2023-04-25 | | Release date: | 2023-05-17 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
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4WZ4
 | | Crystal structure of P. aeruginosa AmpC | | Descriptor: | Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-11-18 | | Release date: | 2015-08-05 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
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4X7D
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4WZ5
 | | Crystal structure of P. aeruginosa OXA10 | | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-11-18 | | Release date: | 2015-08-05 | | Last modified: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
Acs Infect Dis., 1, 2015
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4X7C
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4X7E
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5M2H
 | | Crystal structure of vancomycin-Zn(II)-citrate complex | | Descriptor: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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4WYY
 | | Crystal Structure of P. aeruginosa AmpC | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-11-18 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
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1ETG
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES | | Descriptor: | REV PEPTIDE, REV RESPONSIVE ELEMENT RNA | | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | Deposit date: | 1996-08-28 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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1ETF
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | REV PEPTIDE, REV RESPONSE ELEMENT RNA | | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | Deposit date: | 1996-08-28 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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5DKR
 | | Crystal Structure of Calcium-loaded S100B bound to SBi29 | | Descriptor: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.742 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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5DKN
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4225 | | Descriptor: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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