Author results

5Y3E
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CRYSTAL STRUCTURE OF SARS CORONAVIRUS PAPAIN-LIKE PROTEASE IN COMPLEX WITH GLYCEROL
Descriptor:Replicase polyprotein 1a, ZINC ION, SODIUM ION, ...
Authors:Lin, M.H., Chou, C.Y.
Deposit date:2017-07-28
Release date:2018-01-10
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
5Y3Q
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CRYSTAL STRUCTURE OF SARS CORONAVIRUS PAPAIN-LIKE PROTEASE CONJUGATED WITH BETA-MERCAPTOETHANOL
Descriptor:Replicase polyprotein 1a, ZINC ION, BETA-MERCAPTOETHANOL, ...
Authors:Lin, M.H., Chou, C.Y.
Deposit date:2017-07-29
Release date:2018-01-10
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
7C33
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MACRO DOMAIN OF SARS-COV-2 IN COMPLEX WITH ADP-RIBOSE
Descriptor:Macro domain from non-structural protein 3, ADENOSINE-5-DIPHOSPHORIBOSE
Authors:Lin, M.H., Hsu, C.H.
Deposit date:2020-05-11
Release date:2020-11-11
Method:X-RAY DIFFRACTION (3.83 Å)
Cite:Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain.
Acs Infect Dis., 2020
7CZ4
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STRUCTURE OF SARS-COV-2 MACRO DOMAIN IN COMPLEX WITH ADP-RIBOSE
Descriptor:Macro domain from non-structural protein 3, ADENOSINE-5-DIPHOSPHORIBOSE
Authors:Lin, M.H., Hsu, C.H.
Deposit date:2020-09-07
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain.
Acs Infect Dis., 2020
5YB9
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CRYSTAL STRUCTURE OF A DIMERIC CYCLOPHILIN A FROM T.VAGINALIS
Descriptor:Peptidyl-prolyl cis-trans isomerase
Authors:Cho, C.C., Lin, M.H., Chou, C.C., Martin, T., Chen, C., Hsu, C.H.
Deposit date:2017-09-04
Release date:2018-07-18
Last modified:2018-08-01
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
5YBA
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DIMERIC CYCLOPHILIN FROM T.VAGINALIS IN COMPLEX WITH MYB1 PEPTIDE
Descriptor:Myb1 peptide, Peptidyl-prolyl cis-trans isomerase
Authors:Cho, C.C., Lin, M.H., Martin, T., Chou, C.C., Chen, C., Hsu, C.H.
Deposit date:2017-09-04
Release date:2018-07-18
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.062 Å)
Cite:Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
3I5N
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CRYSTAL STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR 13
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
Authors:Bellon, S.F., Whittington, D.A., Long, A.M., Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
5B7C
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CRYSTAL STRUCTURE OF OCTOPUS S-CRYSTALLIN Q108F MUTANT IN COMPLEX WITH GLUTATHIONE
Descriptor:S-crystallin OctvuS4, GLUTATHIONE, SULFATE ION
Authors:Chou, C.-Y., Tan, W.-H., Wu, C.-G.
Deposit date:2016-06-07
Release date:2016-08-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a Highly Active Cephalopod S-crystallin Mutant: New Molecular Evidence for Evolution from an Active Enzyme into Lens-Refractive Protein.
Sci Rep, 6, 2016
5KS8
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CRYSTAL STRUCTURE OF TWO-SUBUNIT PYRUVATE CARBOXYLASE FROM METHYLOBACILLUS FLAGELLATUS
Descriptor:Pyruvate carboxylase subunit alpha, Pyruvate carboxylase subunit beta, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ...
Authors:Choi, P.H., Tong, L.
Deposit date:2016-07-07
Release date:2016-10-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:A distinct holoenzyme organization for two-subunit pyruvate carboxylase.
Nat Commun, 7, 2016
3O50
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CRYSTAL STRUCTURE OF BENZAMIDE 9 BOUND TO AURORAA
Descriptor:cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6, N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3O51
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CRYSTAL STRUCTURE OF ANTHRANILAMIDE 10 BOUND TO AURORAA
Descriptor:cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6, N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
4DEG
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH TRIAZOLOPYRIDAZINE INHIBITOR 2
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
Authors:Whittington, D.A., Bellon, S.F., Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DEH
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH TRIAZOLOPYRIDINONE INHIBITOR 3
Descriptor:Hepatocyte growth factor receptor, 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
Authors:Whittington, D.A., Bellon, S.F., Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DEI
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH TRIAZOLOPYRIDINONE INHIBITOR 24
Descriptor:Hepatocyte growth factor receptor, 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4UMK
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THE COMPLEX OF SPO0J AND PARS DNA IN CHROMOSOMAL PARTITION SYSTEM
Descriptor:PROBABLE CHROMOSOME-PARTITIONING PROTEIN PARB, DNA, SULFATE ION
Authors:Chen, B.W., Chu, C.H., Tung, J.Y., Hsu, C.E., Hsiao, C.D., Sun, Y.J.
Deposit date:2014-05-19
Release date:2015-05-13
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Insights into ParB spreading from the complex structure of Spo0J and parS.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
4XMO
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH (R)-5-(8-FLUORO-3-(1-FLUORO-1-(3-METHOXYQUINOLIN-6-YL)ETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YL)-3-METHYLISOXAZOLE
Descriptor:Hepatocyte growth factor receptor, 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-01-14
Release date:2015-03-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
4XYF
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH (S)-5-(8-FLUORO-3-(1-(3-(2-METHOXYETHOXY)QUINOLIN-6-YL)ETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YL)-3-METHYLISOXAZOLE
Descriptor:Hepatocyte growth factor receptor, 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
5EYC
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH NAPHTHYRIDINONE INHIBITOR 5
Descriptor:Hepatocyte growth factor receptor, 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
5EYD
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH AMG 337
Descriptor:Hepatocyte growth factor receptor, 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
5ZDA
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) FROM DEINOCOCCUS RADIODURANS IN APO FORM
Descriptor:poly ADP-ribose glycohydrolase, SULFATE ION
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
5ZDB
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH ADP-RIBOSE (P21)
Descriptor:Poly ADP-ribose glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
5ZDC
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH ADP-RIBOSE (P32)
Descriptor:poly ADP-ribose glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, PHOSPHATE ION
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
5ZDD
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH ADP-RIBOSE (P212121)
Descriptor:Poly ADP-ribose glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, PHOSPHATE ION
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
5ZDE
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH ADP-RIBOSE (P3221)
Descriptor:Poly ADP-ribose glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
5ZDF
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CRYSTAL STRUCTURE OF POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) T267K MUTANT FROM DEINOCOCCUS RADIODURANS IN COMPLEX WITH ADP-RIBOSE
Descriptor:Poly ADP-ribose glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Cho, C.C., Hsu, C.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Nat Commun, 10, 2019
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171588
PDB entries from 2020-11-25