Author results

2QVO
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CRYSTAL STRUCTURE OF AF1382 FROM ARCHAEOGLOBUS FULGIDUS
Descriptor:Uncharacterized protein AF_1382
Authors:Zhu, J., Zhao, M., Fu, Z.-Q., Yang, H., Chang, J., Hao, X., Chen, L., Liu, Z.J., Rose, J.P., Wang, B.C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-08-08
Release date:2007-09-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
5KAE
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH QUINOLINE-CONTAINING INHIBITOR 5G
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
6J1L
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CRYSTAL STRUCTURE ANALYSIS OF THE ROR GAMMA(C455E)
Descriptor:Nuclear receptor ROR-gamma, 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
Authors:zhang, Y., Li, C.C., wu, X.S.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
3EQP
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CRYSTAL STRUCTURE OF ACK1 WITH COMPOUND T95
Descriptor:Activated CDC42 kinase 1, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide, CHLORIDE ION
Authors:Liu, J., Wang, Z., Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EQR
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CRYSTAL STRUCTURE OF ACK1 WITH COMPOUND T74
Descriptor:Activated CDC42 kinase 1, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine, CHLORIDE ION
Authors:Liu, J., Wang, Z., Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4FJY
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH QUINOLINE-INDOLINE INHIBITOR 24F
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2012-06-12
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4FJZ
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH PYRROLO-PYRIDINE INHIBITOR 63
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2012-06-12
Release date:2012-10-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4WWN
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH (S)-N-(1-(7-FLUORO-2-(PYRIDIN-2-YL)QUINOLIN-3-YL)ETHYL)-9H-PURIN-6-AMINE AMG319 INHIBITOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWO
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH PHENYLQUINOLINE INHIBITOR N-{(1S)-1-[8-CHLORO-2-(3-FLUOROPHENYL)QUINOLIN-3-YL]ETHYL}-9H-PURIN-6-AMINE
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWP
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH PYRIDINYLQUINOLINE INHIBITOR N-{(1S)-1-[8-CHLORO-2-(2-METHYLPYRIDIN-3-YL)QUINOLIN-3-YL]ETHYL}-9H-PURIN-6-AMINE
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, ...
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
3OV8
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CRYSTAL STRUCTURE OF AF1382 FROM ARCHAEOGLOBUS FULGIDUS, HIGH RESOLUTION
Descriptor:Protein AF_1382, ACETATE ION, CHLORIDE ION
Authors:Zhu, J.-Y., Zhao, M., Fu, Z.-Q., Yang, H., Chang, J., Hao, X., Chen, L., Rose, J.P., Wang, B.C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2010-09-16
Release date:2011-11-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.8501 Å)
Cite:Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
6BHZ
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TRASTUZUMAB FAB D185A (LIGHT CHAIN) MUTANT.
Descriptor:Trastuzumab Anti-HER2 Fab Heavy Chain, Trastuzumab Anti-HER2 Fab Light Chain D185A, 1,2-ETHANEDIOL
Authors:DiDonato, M., Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
6BI0
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TRASTUZUMAB FAB N158A, D185A, K190A (LIGHT CHAIN) TRIPLE MUTANT.
Descriptor:Trastuzumab anti-HER2 Fab Heavy Chain, Trastuzumab anti-HER2 Fab Light Chain, 1,2-ETHANEDIOL
Authors:DiDonato, M., Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
6BI2
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TRASTUZUMAB FAB D185A (LIGHT CHAIN) MUTANT BIOTIN CONJUGATION.
Descriptor:Trastuzumab Anti-HER2 Fab Heavy Chain, Trastuzumab Anti-HER2 Fab Light Chain, 1,2-ETHANEDIOL, ...
Authors:DiDonato, M., Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018