Author results

6AFR
  • Download 6afr
  • View 6afr
Molmil generated image of 6afr
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 5-((4-FLUORO-1H-IMIDAZOL-1-YL)METHYL)QUINOLIN-8-OL
Descriptor:Bromodomain-containing protein 4, 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
Authors:Xing, J., Zhang, R.K., Zheng, M.Y., Luo, C., Jiang, X.R.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
4GXO
  • Download 4gxo
  • View 4gxo
Molmil generated image of 4gxo
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS PROTEIN SARZ MUTANT C13E
Descriptor:MarR family regulatory protein, GLYCEROL
Authors:Sun, F., Ding, Y., Ji, Q., Liang, Z., Deng, X., Wong, C.C., Yi, C., Zhang, L., Xie, S., Alvarez, S., Hicks, L.M., Luo, C., Jiang, H., Lan, L., He, C.
Deposit date:2012-09-04
Release date:2012-09-26
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
6CV0
  • Download 6cv0
  • View 6cv0
Molmil generated image of 6cv0
CRYO-ELECTRON MICROSCOPY STRUCTURE OF INFECTIOUS BRONCHITIS CORONAVIRUS SPIKE PROTEIN
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE
Authors:Shang, J., Zheng, Y., Yang, Y., Liu, C., Geng, Q., Luo, C., Zhang, W., Li, F.
Deposit date:2018-03-27
Release date:2018-04-18
Last modified:2018-05-09
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM structure of infectious bronchitis coronavirus spike protein reveals structural and functional evolution of coronavirus spike proteins.
PLoS Pathog., 14, 2018
5Y1Y
  • Download 5y1y
  • View 5y1y
Molmil generated image of 5y1y
COMPLEX STRUCTURE OF NITROXOLINE WITH THE FIRST BROMODOMAIN OF BRD4
Descriptor:Bromodomain-containing protein 4, 5-nitroquinolin-8-ol
Authors:Jiang, H., Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
1IA8
  • Download 1ia8
  • View 1ia8
Molmil generated image of 1ia8
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor:CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P., Luo, C., Deng, Y., Ryan, K., Register, J., Margosiak, S., Tempczyk-Russell, A., Nguyen, B., Myers, P., Lundgren, K., Chen Kan, C.-C., O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
2IOI
  • Download 2ioi
  • View 2ioi
Molmil generated image of 2ioi
CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DOMAIN AT 1.55 A
Descriptor:Cellular tumor antigen p53, ZINC ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOM
  • Download 2iom
  • View 2iom
Molmil generated image of 2iom
MOUSE P53 CORE DOMAIN SOAKED WITH 2-PROPANOL
Descriptor:Cellular tumor antigen p53, ZINC ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2IOO
  • Download 2ioo
  • View 2ioo
Molmil generated image of 2ioo
CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DOMAIN
Descriptor:Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
3COQ
  • Download 3coq
  • View 3coq
Molmil generated image of 3coq
STRUCTURAL BASIS FOR DIMERIZATION IN DNA RECOGNITION BY GAL4
Descriptor:DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), Regulatory protein GAL4, ...
Authors:Hong, M., Fitzgerald, M.X., Harper, S., Luo, C., Speicher, D.W.
Deposit date:2008-03-29
Release date:2008-07-01
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
3S04
  • Download 3s04
  • View 3s04
Molmil generated image of 3s04
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TYPE I SIGNAL PEPTIDASE IN COMPLEX WITH AN ARYLOMYCIN LIPOGLYCOPEPTIDE ANTIBIOTIC
Descriptor:Signal peptidase I, Glyco-Arylomycin, 14-methylhexadec-9-enoic acid, ...
Authors:Paetzel, M., Luo, C.
Deposit date:2011-05-13
Release date:2011-10-05
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase.
J.Am.Chem.Soc., 133, 2011
3ST9
  • Download 3st9
  • View 3st9
Molmil generated image of 3st9
CRYSTAL STRUCTURE OF CLPP IN HEPTAMERIC FORM FROM STAPHYLOCOCCUS AUREUS
Descriptor:ATP-dependent Clp protease proteolytic subunit, SULFATE ION, CALCIUM ION, ...
Authors:Zhang, J., Ye, F., Lan, L., Jiang, H., Luo, C., Yang, C.-G.
Deposit date:2011-07-09
Release date:2011-09-07
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics
J.Biol.Chem., 286, 2011
3STA
  • Download 3sta
  • View 3sta
Molmil generated image of 3sta
CRYSTAL STRUCTURE OF CLPP IN TETRADECAMERIC FORM FROM STAPHYLOCOCCUS AUREUS
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Zhang, J., Ye, F., Lan, L., Jiang, H., Luo, C., Yang, C.-G.
Deposit date:2011-07-09
Release date:2011-09-07
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics
J.Biol.Chem., 286, 2011
4EMP
  • Download 4emp
  • View 4emp
Molmil generated image of 4emp
CRYSTAL STRUCTURE OF THE MUTANT OF CLPP E137A FROM STAPHYLOCOCCUS AUREUS
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F., Zhang, J., Liu, H., Luo, C., Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2014-01-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
5H21
  • Download 5h21
  • View 5h21
Molmil generated image of 5h21
TRIMETHOXY-RING INHIBITOR IN COMPLEX WITH THE FIRST BROMODOMAIN OF BRD4
Descriptor:Bromodomain-containing protein 4, 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide
Authors:Zhang, H., Luo, C.
Deposit date:2016-10-13
Release date:2017-07-05
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
5MEI
  • Download 5mei
  • View 5mei
Molmil generated image of 5mei
CRYSTAL STRUCTURE OF AGELASTATIN A BOUND TO THE 80S RIBOSOME
Descriptor:25S ribosomal RNA, 5S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:McClary, B., Zinshteyn, B., Meyer, M., Jouanneau, M., Pellegrino, S., Yusupova, G., Schuller, A., Reyes, J.C.P., Lu, J., Luo, C., Dang, Y., Romo, D., Yusupov, M., Green, R., Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
5XAF
  • Download 5xaf
  • View 5xaf
Molmil generated image of 5xaf
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-COMPOUND Z1 COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, H., Luo, C., Wang, Y.
Deposit date:2017-03-12
Release date:2017-12-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5XAG
  • Download 5xag
  • View 5xag
Molmil generated image of 5xag
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-COMPOUND Z2 COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, H., Luo, C., Wang, Y.
Deposit date:2017-03-12
Release date:2018-01-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5Z4P
  • Download 5z4p
  • View 5z4p
Molmil generated image of 5z4p
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-COMPOUND TCA COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-12
Release date:2019-01-16
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Design of novel Tubulin inhibitors
To Be Published
5Z5T
  • Download 5z5t
  • View 5z5t
Molmil generated image of 5z5t
THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-2141
Descriptor:Bromodomain-containing protein 4, 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
  • Download 5z5u
  • View 5z5u
Molmil generated image of 5z5u
THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-2254
Descriptor:Bromodomain-containing protein 4, 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
  • Download 5z5v
  • View 5z5v
Molmil generated image of 5z5v
THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-1253
Descriptor:Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
6K04
  • Download 6k04
  • View 6k04
Molmil generated image of 6k04
CRYSTAL STRUCTURE OF BRD2(BD2)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
6K05
  • Download 6k05
  • View 6k05
Molmil generated image of 6k05
CRYSTAL STRUCTURE OF BRD2(BD1)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
3IIQ
  • Download 3iiq
  • View 3iiq
Molmil generated image of 3iiq
CRYSTALLOGRAPHIC ANALYSIS OF BACTERIAL SIGNAL PEPTIDASE IN TERNARY COMPLEX WITH ARYLOMYCIN A2 AND A BETA-SULTAM INHIBITOR
Descriptor:SIGNAL PEPTIDASE I, ARYLOMYCIN A2, 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine, ...
Authors:Paetzel, M.
Deposit date:2009-08-03
Release date:2009-09-01
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Analysis of Bacterial Signal Peptidase in Ternary Complex with Arylomycin A2 and a Beta-Sultam Inhibitor.
Biochemistry, 48, 2009
5V2N
  • Download 5v2n
  • View 5v2n
Molmil generated image of 5v2n
CRYSTAL STRUCTURE OF APO HUMAN SETD8
Descriptor:N-lysine methyltransferase KMT5A, 1,2-ETHANEDIOL
Authors:Skene, R.J.
Deposit date:2017-03-05
Release date:2018-03-07
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
<123>