Author results

6DW2
  • Download 6dw2
  • View 6dw2
Molmil generated image of 6dw2
STRUCTURE OF THE 6078 ANTIBODY FAB FRAGMENT BOUND TO A STAPHYLOCOCCUS AUREUS WALL TECHOIC ACID ANALOG
Descriptor:6078 Fab light chain, 6078 Fab heavy chain, SODIUM ION, ...
Authors:Fong, R., Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWA
  • Download 6dwa
  • View 6dwa
Molmil generated image of 6dwa
STRUCTURE OF THE 4497 ANTIBODY FAB FRAGMENT BOUND TO A STAPHYLOCOCCUS AUREUS WALL TECHOIC ACID ANALOG
Descriptor:4497 Fab Light Chain, 4497 Fab Heavy Chain, 4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
Authors:Fong, R., Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWC
  • Download 6dwc
  • View 6dwc
Molmil generated image of 6dwc
STRUCTURE OF THE APO 4497 ANTIBODY FAB FRAGMENT
Descriptor:4497 Fab Light Chain, 4497 Fab Heavy Chain, ACETATE ION, ...
Authors:Fong, R., Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWI
  • Download 6dwi
  • View 6dwi
Molmil generated image of 6dwi
STRUCTURE OF THE 4462 ANTIBODY FAB FRAGMENT BOUND TO A STAPHYLOCOCCUS AUREUS WALL TECHOIC ACID ANALOG
Descriptor:4462 Fab Light Chain, 4462 Fab Heavy chain, CHLORIDE ION, ...
Authors:Fong, R., Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
4I5C
  • Download 4i5c
  • View 4i5c
Molmil generated image of 4i5c
THE JAK1 KINASE DOMAIN IN COMPLEX WITH INHIBITOR
Descriptor:Tyrosine-protein kinase JAK1, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, 1,2-ETHANEDIOL
Authors:Fong, R., Lupardus, P.J.
Deposit date:2012-11-28
Release date:2013-05-22
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.
Bioorg.Med.Chem.Lett., 23, 2013
4LXZ
  • Download 4lxz
  • View 4lxz
Molmil generated image of 4lxz
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH SAHA (VORINOSTAT)
Descriptor:Histone deacetylase 2, ZINC ION, CALCIUM ION, ...
Authors:Fong, R., Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4LY1
  • Download 4ly1
  • View 4ly1
Molmil generated image of 4ly1
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH INHIBITOR 4-(ACETYLAMINO)-N-[2-AMINO-5-(THIOPHEN-2-YL)PHENYL]BENZAMIDE
Descriptor:Histone deacetylase 2, ZINC ION, CALCIUM ION, ...
Authors:Fong, R., Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4KVN
  • Download 4kvn
  • View 4kvn
Molmil generated image of 4kvn
CRYSTAL STRUCTURE OF FAB 39.29 IN COMPLEX WITH INFLUENZA HEMAGGLUTININ A/PERTH/16/2009 (H3N2)
Descriptor:Hemagglutinin, Human IgG Heavy Chain, Human IgG Light Chain, ...
Authors:Fong, R., Swem, L.R., Lupardus, P.J.
Deposit date:2013-05-22
Release date:2013-08-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
2QR3
  • Download 2qr3
  • View 2qr3
Molmil generated image of 2qr3
CRYSTAL STRUCTURE OF THE N-TERMINAL SIGNAL RECEIVER DOMAIN OF TWO-COMPONENT SYSTEM RESPONSE REGULATOR FROM BACTEROIDES FRAGILIS
Descriptor:Two-component system response regulator
Authors:Bonanno, J.B., Freeman, J., Bain, K.T., Mendoza, M., Romero, R., Fong, R., Smith, D., Wasserman, S., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-27
Release date:2007-08-07
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis.
To be Published
5D6C
  • Download 5d6c
  • View 5d6c
Molmil generated image of 5d6c
STRUCTURE OF 4497 FAB BOUND TO SYNTHETIC WALL TEICHOIC ACID FRAGMENT
Descriptor:4497 antibody IgK (VL and CL), 4497 antibody IgG1 (VH and CH1), CALCIUM ION, ...
Authors:Lupardus, P.J., Fong, R.
Deposit date:2015-08-12
Release date:2015-11-11
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Nature, 527, 2015
3B40
  • Download 3b40
  • View 3b40
Molmil generated image of 3b40
CRYSTAL STRUCTURE OF THE PROBABLE DIPEPTIDASE PVDM FROM PSEUDOMONAS AERUGINOSA
Descriptor:Probable dipeptidase, CADMIUM ION, MAGNESIUM ION, ...
Authors:Bonanno, J.B., Patskovsky, Y., Dickey, M., Bain, K.T., Mendoza, M., Fong, R., Smith, D., Wasserman, S., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-23
Release date:2007-11-06
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa.
To be Published
3CFY
  • Download 3cfy
  • View 3cfy
Molmil generated image of 3cfy
CRYSTAL STRUCTURE OF SIGNAL RECEIVER DOMAIN OF PUTATIVE LUXO REPRESSOR PROTEIN FROM VIBRIO PARAHAEMOLYTICUS
Descriptor:Putative LuxO repressor protein
Authors:Patskovsky, Y., Ramagopal, U.A., Fong, R., Freeman, J., Iizuka, M., Groshong, C., Smith, D., Wasserman, S.R., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-04
Release date:2008-03-18
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Signal Receiver Domain of Putative Luxo Repressor Protein from Vibrio Parahaemolyticus.
To be Published
4K6Z
  • Download 4k6z
  • View 4k6z
Molmil generated image of 4k6z
THE JAK1 KINASE DOMAIN IN COMPLEX WITH COMPOUND 37
Descriptor:Tyrosine-protein kinase JAK1, (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
Authors:Fong, R., Lupardus, P.J.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5FED
  • Download 5fed
  • View 5fed
Molmil generated image of 5fed
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE INHIBITOR.
Descriptor:Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
  • Download 5fee
  • View 5fee
Molmil generated image of 5fee
EGFR KINASE DOMAIN T790M MUTANT IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE INHIBITOR.
Descriptor:Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEQ
  • Download 5feq
  • View 5feq
Molmil generated image of 5feq
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
Descriptor:Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-17
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016