7AOM
 
 | | Structure of NUDT15 in complex with Ganciclovir triphosphate | | Descriptor: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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1BF0
 | | CALCICLUDINE (CAC) FROM GREEN MAMBA DENDROASPIS ANGUSTICEPS, NMR, 15 STRUCTURES | | Descriptor: | CALCICLUDINE | | Authors: | Gilquin, B, Lecoq, A, Desne, F, Guenneugues, M, Zinn-Justin, S, Menez, A. | | Deposit date: | 1998-05-26 | | Release date: | 1999-01-13 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Conformational and functional variability supported by the BPTI fold: solution structure of the Ca2+ channel blocker calcicludine.
Proteins, 34, 1999
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5IEV
 | | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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3CGY
 | | Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain in complex with radicicol | | Descriptor: | RADICICOL, Virulence sensor histidine kinase phoQ | | Authors: | Guarnieri, M.T, Zhang, L, Shen, J, Zhao, R. | | Deposit date: | 2008-03-06 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Hsp90 inhibitor radicicol interacts with the ATP-binding pocket of bacterial sensor kinase PhoQ.
J.Mol.Biol., 379, 2008
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1BGQ
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5XOZ
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6M62
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1L6S
 | | Crystal Structure of Porphobilinogen Synthase Complexed with the Inhibitor 4,7-Dioxosebacic Acid | | Descriptor: | 4,7-DIOXOSEBACIC ACID, MAGNESIUM ION, PORPHOBILINOGEN SYNTHASE, ... | | Authors: | Jaffe, E.K, Kervinen, J, Martins, J, Stauffer, F, Neier, R, Wlodawer, A, Zdanov, A. | | Deposit date: | 2002-03-13 | | Release date: | 2002-04-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Species-Specific Inhibition of Porphobilinogen Synthase by 4-Oxosebacic Acid
J.Biol.Chem., 277, 2002
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1I8J
 | | CRYSTAL STRUCTURE OF PORPHOBILINOGEN SYNTHASE COMPLEXED WITH THE INHIBITOR 4,7-DIOXOSEBACIC ACID | | Descriptor: | 4,7-DIOXOSEBACIC ACID, MAGNESIUM ION, PORPHOBILINOGEN SYNTHASE, ... | | Authors: | Kervinen, J, Jaffe, E.K, Stauffer, F, Neier, R, Wlodawer, A, Zdanov, A. | | Deposit date: | 2001-03-14 | | Release date: | 2001-06-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic basis for suicide inactivation of porphobilinogen synthase by 4,7-dioxosebacic acid, an inhibitor that shows dramatic species selectivity.
Biochemistry, 40, 2001
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7O7K
 | | Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | | Deposit date: | 2021-04-13 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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7O7J
 | | Crystal structure of the human HIPK3 kinase domain bound to abemaciclib | | Descriptor: | Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | | Deposit date: | 2021-04-13 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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3V6N
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2Q8I
 | | Pyruvate dehydrogenase kinase isoform 3 in complex with antitumor drug radicicol | | Descriptor: | DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, GLYCEROL, ... | | Authors: | Kato, M, Li, J, Chuang, J.L, Chuang, D.T. | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
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2WER
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2HKJ
 | | Topoisomerase VI-B bound to radicicol | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, RADICICOL, ... | | Authors: | Corbett, K.D, Berger, J.M. | | Deposit date: | 2006-07-04 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for topoisomerase VI inhibition
by the anti-Hsp90 drug radicicol
Nucleic Acids Res., 34, 2006
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8ULM
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6J10
 | | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly | | Descriptor: | 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein | | Authors: | Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J. | | Deposit date: | 2018-12-27 | | Release date: | 2019-04-17 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
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1FSC
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1FSS
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II, ... | | Authors: | Harel, M, Kleywegt, G.J, Silman, I, Sussman, J.L. | | Deposit date: | 1995-10-25 | | Release date: | 1996-03-08 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target.
Structure, 3, 1995
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4LL2
 | | Crystal structure of plant lectin with two metal binding sites from cicer arietinum at 2.6 angstrom resolution | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Lectin, ... | | Authors: | Kumar, S, Dube, D, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | | Deposit date: | 2013-07-09 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure plant lectinwith two metal binding sites from cicer arietinum at 2.6 angstrom resolution
TO BE PUBLISHED
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1MAH
 | | FASCICULIN2-MOUSE ACETYLCHOLINESTERASE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN 2 | | Authors: | Bourne, Y, Taylor, P, Marchot, P. | | Deposit date: | 1995-11-21 | | Release date: | 1996-04-03 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex.
Cell(Cambridge,Mass.), 83, 1995
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1FAS
 | | 1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM | | Descriptor: | FASCICULIN 1 | | Authors: | Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C. | | Deposit date: | 1992-08-07 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom.
J.Biol.Chem., 267, 1992
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4OEI
 | | Crystal structure of plant lectin from Cicer arietinum at 2.6 angstrom resolution | | Descriptor: | Lectin, MAGNESIUM ION, SULFATE ION | | Authors: | Kumar, S, Dube, D, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-13 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of plant lectin from Cicer arietinum at
2.6 angstrom resolution
TO BE PUBLISHED
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4HSD
 | | Crystal structure of a new form of plant lectin from Cicer arietinum at 2.45 Angstrom resolution | | Descriptor: | Lectin, SODIUM ION | | Authors: | Kumar, S, Singh, A, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a new form of plant lectin from Cicer arietinum at 2.45 Angstrom resolution
to be published
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3S18
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