1UNL
 
 | | Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin. | | Descriptor: | CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE | | Authors: | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | Deposit date: | 2003-09-10 | | Release date: | 2004-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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1UNG
 | | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | | Descriptor: | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE, CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | | Authors: | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | Deposit date: | 2003-09-10 | | Release date: | 2004-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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1UNH
 | | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | | Descriptor: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | | Authors: | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | Deposit date: | 2003-09-10 | | Release date: | 2004-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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3O0G
 | | Crystal Structure of Cdk5:p25 in complex with an ATP analogue | | Descriptor: | Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone | | Authors: | Mapelli, M. | | Deposit date: | 2010-07-19 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation
Chem.Biol., 12, 2005
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1ZSH
 | | Crystal structure of bovine arrestin-2 in complex with inositol hexakisphosphate (IP6) | | Descriptor: | Beta-arrestin 1, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION | | Authors: | Milano, S.K, Kim, Y.M, Stefano, F.P, Benovic, J.L, Brenner, C. | | Deposit date: | 2005-05-24 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Nonvisual arrestin oligomerization and cellular localization are regulated by inositol hexakisphosphate binding
J.Biol.Chem., 281, 2006
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7AWI
 | | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | | Descriptor: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Goral, I, Wieckowska, A. | | Deposit date: | 2020-11-08 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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7AWG
 | | Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | | Deposit date: | 2020-11-08 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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7AWH
 | | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | | Deposit date: | 2020-11-08 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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2H5F
 | | Denmotoxin: A the three-finger toxin from colubrid snake Boiga dendrophila with bird-specific activity | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Pawlak, J, Kini, R.M, Stura, E.A. | | Deposit date: | 2006-05-26 | | Release date: | 2006-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Denmotoxin, a three-finger toxin from the colubrid snake Boiga dendrophila (Mangrove Catsnake) with bird-specific activity.
J.Biol.Chem., 281, 2006
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3ZKR
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromoform | | Descriptor: | CYS-LOOP LIGAND-GATED ION CHANNEL, TRIBROMOMETHANE | | Authors: | Spurny, R, Billen, B, Howard, R.J, Brams, M, Debaveye, S, Price, K.L, Weston, D.A, Strelkov, S.V, Tytgat, J, Bertrand, S, Bertrand, D, Lummis, S.C.R, Ulens, C. | | Deposit date: | 2013-01-24 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.649 Å) | | Cite: | Multisite Binding of a General Anesthetic to the Prokaryotic Pentameric Erwinia Chrysanthemi Ligand-Gated Ion Channel (Elic).
J.Biol.Chem., 288, 2013
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1H4L
 | | Structure and regulation of the CDK5-p25(nck5a) complex | | Descriptor: | CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR | | Authors: | Tarricone, C, Dhavan, R, Peng, J, Areces, L.B, Tsai, L.-H, Musacchio, A. | | Deposit date: | 2001-05-11 | | Release date: | 2002-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and Regulation of the Cdk5-P25(Nck5A) Complex
Mol.Cell, 8, 2001
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4Z91
 | | ELIC cocrystallized with isofluorane in a desensitized state | | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3915 Å) | | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
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7VDQ
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDS
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDR
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | | Descriptor: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDP
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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8VY8
 | | Recombinant alpha bungarotoxin complexed with HAP peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-bungarotoxin isoform V31, HAP peptide | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of recombinant alpha bungarotoxin complexed with HAP peptide at 2.4 Angstroms resolution.
To Be Published
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1CTX
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8BVO
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8BXR
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8BW6
 | | Titin FnIII-domain I110 (I/A6) from the MIR region | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mayans, O, Fleming, J.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
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2QLR
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1VDF
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2R2N
 | | The crystal structure of human kynurenine aminotransferase II in complex with kynurenine | | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, ... | | Authors: | Han, Q, Robinson, H, Li, J. | | Deposit date: | 2007-08-27 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human kynurenine aminotransferase II.
J.Biol.Chem., 283, 2008
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2KGL
 | | NMR solution structure of MESD | | Descriptor: | Mesoderm development candidate 2 | | Authors: | Chen, J, Wang, J. | | Deposit date: | 2009-03-12 | | Release date: | 2010-03-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Two Structural and Functional Domains of MESD Required for Proper Folding and Trafficking of LRP5/6.
Structure, 19, 2011
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