Author results

1UKF
  • Download 1ukf
  • View 1ukf
Molmil generated image of 1ukf
CRYSTAL STRUCTURE OF PSEUDOMONAS AVIRULENCE PROTEIN AVRPPHB
Descriptor:Avirulence protein AVRPPH3
Authors:Zhu, M., Shao, F., Innes, R.W., Dixon, J.E., Xu, Z.
Deposit date:2003-08-21
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The crystal structure of Pseudomonas avirulence protein AvrPphB: a papain-like fold with a distinct substrate-binding site.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5YM9
  • Download 5ym9
  • View 5ym9
Molmil generated image of 5ym9
CRYSTAL STRUCTURE OF THE DEAMIDASE FROM LEGIONELLA PNEUMOPHILA
Descriptor:Uncharacterized protein
Authors:Zhu, Z.L., Zhu, M.
Deposit date:2017-10-21
Release date:2018-10-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Deamidase from Legionella pneumophila
To Be Published
5CHH
  • Download 5chh
  • View 5chh
Molmil generated image of 5chh
CRYSTAL STRUCTURE OF TRANSCRIPTIONAL REGULATOR CDPR FROM PSEUDOMONAS AERUGINOSA
Descriptor:AraC family transcriptional regulator
Authors:Zhao, J.R., Yu, X., Zhu, M., Kang, H.P., Kong, W.N., Ma, J.B., Deng, X., Gan, J.H., Liang, H.H.
Deposit date:2015-07-10
Release date:2016-05-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Molecular Mechanism of CdpR Involved in Quorum-Sensing and Bacterial Virulence in Pseudomonas aeruginosa
Plos Biol., 14, 2016
5J2Y
  • Download 5j2y
  • View 5j2y
Molmil generated image of 5j2y
MOLECULAR INSIGHT INTO THE REGULATORY MECHANISM OF THE QUORUM-SENSING REPRESSOR RSAL IN PSEUDOMONAS AERUGINOSA
Descriptor:Regulatory protein, DNA (26-MER)
Authors:Zhao, J., Gan, J., Zhang, J., Kang, H., Kong, W., Zhu, M., Li, F., Song, Y., Qin, J., Liang, H.
Deposit date:2016-03-30
Release date:2017-04-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insight into the regulatory mechanism of the quorum-sensing repressor RsaL in Pseudomonas aeruginosa
To Be Published
4U0I
  • Download 4u0i
  • View 4u0i
Molmil generated image of 4u0i
CRYSTAL STRUCTURE OF KIT IN COMPLEX WITH PONATINIB
Descriptor:Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, PHOSPHATE ION
Authors:Zhou, T., Zhu, X., Dalgarno, D.C.
Deposit date:2014-07-11
Release date:2014-10-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ponatinib Inhibits Polyclonal Drug-Resistant KIT Oncoproteins and Shows Therapeutic Potential in Heavily Pretreated Gastrointestinal Stromal Tumor (GIST) Patients.
Clin.Cancer Res., 20, 2014
4ZN9
  • Download 4zn9
  • View 4zn9
Molmil generated image of 4zn9
CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH OXABICYCLIC HEPTENE SULFONATE (OBHS)
Descriptor:Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C., Srinivasan, S., Zheng, Y., Wang, S., Min, J., Dong, C., Liao, Z., Cavett, V., Nowak, J., Houtman, R., Carlson, K.E., Josan, J.S., Elemento, O., Katzenellenbogen, J.A., Zhou, H.B., Nettles, K.W.
Deposit date:2015-05-04
Release date:2015-09-09
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
5WDY
  • Download 5wdy
  • View 5wdy
Molmil generated image of 5wdy
CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH 1-CYCLOHEXYL-N-({6-FLUORO-1-[2-(3-METHOXYPHENYL)PYRIDIN-4-YL]-1H-INDOL-3-YL}METHYL)METHANAMINE (COMPOUND 6)
Descriptor:Serine/threonine-protein kinase WNK1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, ...
Authors:Xie, X., Kohls, D.
Deposit date:2017-07-06
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5WE8
  • Download 5we8
  • View 5we8
Molmil generated image of 5we8
CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH N-{(3R)-1-[(4-CHLOROPHENYL)METHYL]PYRROLIDIN-3-YL}-2-(3-METHOXYPHENYL)-N-METHYLQUINOLINE-4-CARBOXAMIDE (COMPOUND 8)
Descriptor:Serine/threonine-protein kinase WNK1, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X., Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
6ITJ
  • Download 6itj
  • View 6itj
Molmil generated image of 6itj
CRYSTAL STRUCTURE OF FGFR1 KINASE DOMAIN IN COMPLEX WITH COMPOUND 3
Descriptor:Fibroblast growth factor receptor 1, 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one
Authors:Xu, Y., Liu, Q.
Deposit date:2018-11-23
Release date:2019-10-23
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUO
  • Download 6iuo
  • View 6iuo
Molmil generated image of 6iuo
CRYSTAL STRUCTURE OF FGFR4 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR
Descriptor:Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
Authors:Xu, Y., Liu, Q.
Deposit date:2018-11-29
Release date:2019-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUP
  • Download 6iup
  • View 6iup
Molmil generated image of 6iup
CRYSTAL STRUCTURE OF FGFR4 KINASE DOMAIN IN COMPLEX WITH COMPOUND 5
Descriptor:Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide, DIMETHYL SULFOXIDE
Authors:Xu, Y., Liu, Q.
Deposit date:2018-11-29
Release date:2019-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
2QBP
  • Download 2qbp
  • View 2qbp
Molmil generated image of 2qbp
CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBQ
  • Download 2qbq
  • View 2qbq
Molmil generated image of 2qbq
CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBR
  • Download 2qbr
  • View 2qbr
Molmil generated image of 2qbr
CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBS
  • Download 2qbs
  • View 2qbs
Molmil generated image of 2qbs
CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
4Y2I
  • Download 4y2i
  • View 4y2i
Molmil generated image of 4y2i
GOLD ION BOUND TO GOLB
Descriptor:Putative metal-binding transport protein, GOLD ION
Authors:Wei, W., Wang, F., Ma, L., Zhao, J.
Deposit date:2015-02-10
Release date:2016-02-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
4Y2K
  • Download 4y2k
  • View 4y2k
Molmil generated image of 4y2k
REDUCED FORM OF APO-GOLB
Descriptor:Putative metal-binding transport protein
Authors:Wei, W., Wang, F., Ma, L., Zhao, J.
Deposit date:2015-02-10
Release date:2016-02-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
4Y2M
  • Download 4y2m
  • View 4y2m
Molmil generated image of 4y2m
APO-GOLB PROTEIN
Descriptor:Putative metal-binding transport protein, GOLD ION
Authors:Wei, W., Zhao, J., Wang, F.
Deposit date:2015-02-10
Release date:2016-02-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
6R2M
  • Download 6r2m
  • View 6r2m
Molmil generated image of 6r2m
CRYSTAL STRUCTURE OF PSSZ FROM LISTERIA MONOCYTOGENES
Descriptor:Glycoside transferase
Authors:Wu, H., Cheng, J., Qiao, S., Li, D., Ma, L.
Deposit date:2019-03-18
Release date:2019-07-24
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.617 Å)
Cite:Crystal structure of the glycoside hydrolase PssZ from Listeria monocytogenes.
Acta Crystallogr.,Sect.F, 75, 2019