Author results

6GZ8
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FIRST GERMN DOMAIN OF THE SPORULATION PROTEIN GERM FROM BACILLUS SUBTILIS
Descriptor:Spore germination protein GerM, SODIUM ION, 1,2-ETHANEDIOL
Authors:Trouve, J., Mohamed, A., Leisico, F., Contreras-Martel, C., Liu, B., Mas, C., Rudner, D.Z., Rodrigues, C.D.A., Morlot, C.
Deposit date:2018-07-03
Release date:2018-10-10
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural characterization of the sporulation protein GerM from Bacillus subtilis.
J. Struct. Biol., 204, 2018
6GZB
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TANDEM GERMN DOMAINS OF THE SPORULATION PROTEIN GERM FROM BACILLUS SUBTILIS
Descriptor:Spore germination protein GerM, ACETATE ION, 1,2-ETHANEDIOL
Authors:Trouve, J., Mohamed, A., Leisico, F., Contreras-Martel, C., Liu, B., Mas, C., Rudner, D.Z., Rodrigues, C.D.A., Morlot, C.
Deposit date:2018-07-03
Release date:2018-10-10
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the sporulation protein GerM from Bacillus subtilis.
J. Struct. Biol., 204, 2018
6J0D
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CRYSTAL STRUCTURE OF OSSUF4
Descriptor:transcription factor, ZINC ION
Authors:Wang, B., Luo, Q.
Deposit date:2018-12-24
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The transcription factor OsSUF4 interacts with SDG725 in promoting H3K36me3 establishment.
Nat Commun, 10, 2019
5F5M
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CRYSTAL STRUCTURE OF MARBURG VIRUS NUCLEOPROTEIN CORE DOMAIN
Descriptor:Nucleoprotein
Authors:Guo, Y., Liu, B.C., Liu, X., Li, G.B., Wang, W.M., Dong, S.S., Wang, W.J.
Deposit date:2015-12-04
Release date:2017-05-31
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
5F5O
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CRYSTAL STRUCTURE OF MARBURG VIRUS NUCLEOPROTEIN CORE DOMAIN BOUND TO VP35 REGULATION PEPTIDE
Descriptor:Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION
Authors:Guo, Y., Liu, B.C., Liu, X., Li, G.B., Wang, W.M., Dong, S.S., Wang, W.J.
Deposit date:2015-12-04
Release date:2017-05-31
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
4WYH
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CRYSTAL STRUCTURE OF PRIX FROM THE HYPERTHERMOPHILIC ARCHAEON SULFOLOBUS SOLFATARICUS
Descriptor:Uncharacterized protein, IODIDE ION
Authors:Ouyang, S.
Deposit date:2014-11-17
Release date:2015-06-24
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
5NNS
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CRYSTAL STRUCTURE OF HILPMO9B
Descriptor:Glycosyl hydrolase family 61, 2 protein, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Dimarogona, M., Sandgren, M.
Deposit date:2017-04-10
Release date:2018-05-16
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
6ITJ
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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
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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
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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
2H96
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DISCOVERY OF POTENT, HIGHLY SELECTIVE, AND ORALLY BIOAVAILABLE PYRIDINE CARBOXAMIDE C-JUN NH2-TERMINAL KINASE INHIBITORS
Descriptor:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-06-09
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2LMC
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STRUCTURE OF T7 TRANSCRIPTION FACTOR GP2-E. COLI RNAP JAW DOMAIN COMPLEX
Descriptor:Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit beta
Authors:Liu, M.
Deposit date:2011-11-29
Release date:2012-03-14
Last modified:2012-10-03
Method:SOLUTION NMR
Cite:Structural and Mechanistic Basis for the Inhibition of Escherichia coli RNA Polymerase by T7 Gp2.
Mol.Cell, 47, 2012
4Z9P
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CRYSTAL STRUCTURE OF EBOLA VIRUS NUCLEOPROTEIN CORE DOMAIN AT 1.8A RESOLUTION
Descriptor:Nucleoprotein
Authors:Guo, Y., Dong, S.S., Yang, P., Li, G.B., Liu, B.C., Yang, C., Rao, Z.H.
Deposit date:2015-04-11
Release date:2015-05-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
5W5J
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IDENTIFICATION OF POTENT AND SELECTIVE RIPK2 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, SULFATE ION
Authors:Kreusch, A., Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5O
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IDENTIFICATION OF POTENT AND SELECTIVE RIPK2 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES.
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
Authors:Kreusch, A., Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
2NO3
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NOVEL 4-ANILINOPYRIMIDINES AS POTENT JNK1 INHIBITORS
Descriptor:Mitogen-activated protein kinase 8, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-10-24
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007
2GMX
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SELECTIVE AMINOPYRIDINE-BASED C-JUN N-TERMINAL KINASE INHIBITORS WITH CELLULAR ACTIVITY
Descriptor:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-04-07
Release date:2006-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
4YMJ
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:NT-3 growth factor receptor, 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, GLYCEROL, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, SULFATE ION, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, SULFATE ION
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5YVF
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CRYSTAL STRUCTURE OF BFA1
Descriptor:BFA1
Authors:Pu, H., Zhang, L., Duan, Z.K., Peng, L.W., Liu, L.
Deposit date:2017-11-25
Release date:2018-08-08
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
1CN4
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ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
Descriptor:PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
Authors:Stroud, R.M., Reid, S.W.
Deposit date:1999-05-25
Release date:1999-08-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
3TV4
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HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH AN BROMOPYRIDINE BENZAMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
Authors:Voegtli, W.C., Selby, L.T., Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
3TV6
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HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH A METHOXYPYRAZOLOPYRIDINYL BENZAMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide
Authors:Voegtli, W.C., Sturgis, H.L., Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
4Z55
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ANAPLASTIC LYMPHOMA KINASE CATALYTIC DOMAIN COMPLEXED WITH PYRAZOLOPYRIMIDINE DERIVATIVE OF LDK378
Descriptor:ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Authors:Lee, C.C., Spraggon, G.
Deposit date:2015-04-02
Release date:2016-02-03
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016