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4JX3
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BU of 4jx3 by Molmil
Crystal structure of Pim1 kinase
Descriptor: Serine/threonine-protein kinase pim-1
Authors:Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
Deposit date:2013-03-27
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
4CFV
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BU of 4cfv by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFM
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BU of 4cfm by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-18
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3IG7
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BU of 3ig7 by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2
Descriptor: Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
Authors:Pandit, J.
Deposit date:2009-07-27
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
5UX5
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BU of 5ux5 by Molmil
Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense
Descriptor: BIFUNCTIONAL PROTEIN Proline utilization A (PutA), FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2017-02-22
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and characterization of a class 3B proline utilization A: Ligand-induced dimerization and importance of the C-terminal domain for catalysis.
J. Biol. Chem., 292, 2017
4BZD
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BU of 4bzd by Molmil
Structure of CDK2 in complex with a benzimidazopyrimidine
Descriptor: 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine, ACETATE ION, CYCLIN-DEPENDENT KINASE 2
Authors:Tucker, J.A, Valentine, A, Stanway, J, Brassington, C.
Deposit date:2013-07-25
Release date:2014-08-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of Cdk2 in Complex with a Benzimidazopyrimidine
To be Published
5V80
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BU of 5v80 by Molmil
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
Descriptor: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2017-03-21
Release date:2018-04-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
3IGG
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BU of 3igg by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2
Descriptor: Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
Authors:Pandit, J.
Deposit date:2009-07-27
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
1JSV
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BU of 1jsv by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
Descriptor: 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Watenpaugh, K.D, Kelley, L.C.
Deposit date:2001-08-19
Release date:2001-08-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism
J.Biol.Chem., 276, 2001
1AIH
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BU of 1aih by Molmil
CATALYTIC DOMAIN OF BACTERIOPHAGE HP1 INTEGRASE
Descriptor: HP1 INTEGRASE, MAGNESIUM ION, SULFATE ION
Authors:Hickman, A.B, Waninger, S, Scocca, J.J, Dyda, F.
Deposit date:1997-04-17
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular organization in site-specific recombination: the catalytic domain of bacteriophage HP1 integrase at 2.7 A resolution.
Cell(Cambridge,Mass.), 89, 1997
4JX7
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BU of 4jx7 by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one
Descriptor: 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one, PIM1 consensus peptide, Serine/threonine-protein kinase pim-1
Authors:Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
Deposit date:2013-03-27
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
3COJ
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BU of 3coj by Molmil
Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1
Descriptor: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
Authors:Shen, Y, Tong, L.
Deposit date:2008-03-28
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural evidence for direct interactions between the BRCT domains of human BRCA1 and a phospho-peptide from human ACC1
Biochemistry, 47, 2008
5IPX
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BU of 5ipx by Molmil
Structure of ORF49 from KSHV
Descriptor: ORF49 protein, SULFATE ION
Authors:Hew, K, Nordlund, P.
Deposit date:2016-03-10
Release date:2016-11-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Open Reading Frame 49 Protein Encoded by Kaposi's Sarcoma-Associated Herpesvirus.
J. Virol., 91, 2017
4BCM
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BU of 4bcm by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
3JAH
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BU of 3jah by Molmil
Structure of a mammalian ribosomal termination complex with ABCE1, eRF1(AAQ), and the UAG stop codon
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Brown, A, Shao, S, Murray, J, Hegde, R.S, Ramakrishnan, V.
Deposit date:2015-06-10
Release date:2015-08-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural basis for stop codon recognition in eukaryotes.
Nature, 524, 2015
5T0Q
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BU of 5t0q by Molmil
Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 Jas domain [166-192] from arabidopsis
Descriptor: Protein TIFY 9, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K.
Deposit date:2016-08-16
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5SZS
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BU of 5szs by Molmil
Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Walls, A.C, Tortorici, M.A, Frenz, B, Snijder, J, Li, W, Rey, F.A, DiMaio, F, Bosch, B.J, Veesler, D.
Deposit date:2016-08-15
Release date:2016-09-14
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy.
Nat.Struct.Mol.Biol., 23, 2016
4BCP
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BU of 4bcp by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-04-17
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
4BCK
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BU of 4bck by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
1KE9
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BU of 1ke9 by Molmil
CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Descriptor: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cell division protein kinase 2
Authors:Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
4CFN
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BU of 4cfn by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ...
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
5ETA
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BU of 5eta by Molmil
Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24
Descriptor: Mitogen-activated protein kinase 14, Putative transmembrane protein
Authors:Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
Deposit date:2015-11-17
Release date:2016-10-26
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
7OI0
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BU of 7oi0 by Molmil
E.coli delta rbfA pre-30S ribosomal subunit class D
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021

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数据于2024-10-09公开中

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