3GQF
 
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4XVR
 | | H-Ras Y137F | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Mattos, C. | | Deposit date: | 2015-01-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
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5GPP
 | | Crystal structure of zebrafish ASC PYD domain | | Descriptor: | ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ... | | Authors: | Jin, T, Li, Y. | | Deposit date: | 2016-08-04 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
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5GPQ
 | | Crystal Structure of zebrafish ASC CARD Domain | | Descriptor: | CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Jin, T, Li, Y. | | Deposit date: | 2016-08-04 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
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6MFE
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000773 (Compound 11g) Complex | | Descriptor: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2018-09-10 | | Release date: | 2018-10-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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4J53
 | | Crystal structure of PLK1 in complex with TAK-960 | | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Hosfield, D.J, Skene, R.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
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7KRN
 | | Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4J52
 | | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Hosfield, D.J, Skene, R.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
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7KRP
 | | Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KRO
 | | Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5TIV
 | | Schistosoma haematobium (Blood Fluke) Sulfotransferase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | | Authors: | Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
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5TIY
 | | Schistosoma haematobium (Blood Fluke) Sulfotransferase/S-oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
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5TIZ
 | | Schistosoma japonicum (Blood Fluke) Sulfotransferase | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | | Authors: | Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
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5TA6
 | | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. | | Descriptor: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5TIX
 | | Schistosoma haematobium (Blood Fluke) Sulfotransferase/R-oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
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5TIW
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5TA8
 | | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor | | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5W54
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6B4X
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ... | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6B53
 | | Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6BDS
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000204 (Compound 11f) Complex | | Descriptor: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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6B4Y
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, F39Y Mutant | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6BDQ
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6B50
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6B54
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