1DI8
 
 | | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Shewchuk, L, Hassell, A, Kuyper, L.F. | | Deposit date: | 1999-11-29 | | Release date: | 2000-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
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2AST
 | | Crystal structure of Skp1-Skp2-Cks1 in complex with a p27 peptide | | Descriptor: | BENZAMIDINE, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ... | | Authors: | Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P. | | Deposit date: | 2005-08-24 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
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1CLD
 | | DNA-binding protein | | Descriptor: | CADMIUM ION, CD2-LAC9 | | Authors: | Gardner, K.H, Coleman, J.E. | | Deposit date: | 1995-06-06 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Kluyveromyces lactis LAC9 Cd2 Cys6 DNA-binding domain.
Nat.Struct.Biol., 2, 1995
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3GN7
 | | PARP complexed with A861696 | | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Park, C.H. | | Deposit date: | 2009-03-16 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PARP complexed with A861696
To be Published
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2ATX
 | | Crystal Structure of the TC10 GppNHp complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein TC10 | | Authors: | Hemsath, L, Dvorsky, R, Fiegen, D, Carlier, M.F, Ahmadian, M.R. | | Deposit date: | 2005-08-26 | | Release date: | 2005-09-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | An electrostatic steering mechanism of Cdc42 recognition by Wiskott-Aldrich syndrome proteins
Mol.Cell, 20, 2005
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1HOM
 | | DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF THE ANTENNAPEDIA HOMEODOMAIN FROM DROSOPHILA IN SOLUTION BY 1H NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | Descriptor: | ANTENNAPEDIA PROTEIN | | Authors: | Qian, Y.-Q, Billeter, M, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | | Deposit date: | 1991-10-08 | | Release date: | 1993-10-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the three-dimensional structure of the Antennapedia homeodomain from Drosophila in solution by 1H nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
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1VOK
 | | ARABIDOPSIS THALIANA TBP (DIMER) | | Descriptor: | SULFATE ION, TATA-BOX-BINDING PROTEIN | | Authors: | Nikolov, D.B, Burley, S.K. | | Deposit date: | 1996-04-29 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 A resolution refined structure of a TATA box-binding protein (TBP).
Nat.Struct.Biol., 1, 1994
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2AJ4
 | | Crystal structure of Saccharomyces cerevisiae Galactokinase in complex with galactose and Mg:AMPPNP | | Descriptor: | CHLORIDE ION, Galactokinase, MAGNESIUM ION, ... | | Authors: | Thoden, J.B, Sellick, C.A, Timson, D.J, Reece, R.J, Holden, H.M. | | Deposit date: | 2005-08-01 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular structure of Saccharomyces cerevisiae Gal1p, a bifunctional galactokinase and transcriptional inducer
J.Biol.Chem., 280, 2005
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2ALC
 | | ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING DOMAIN FROM ASPERGILLUS NIDULANS | | Descriptor: | PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR), ZINC ION | | Authors: | Cerdan, R, Cahuzac, B, Felenbok, B, Guittet, E. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-21 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of AlcR (1-60) provides insight in the unusual DNA binding properties of this zinc binuclear cluster protein.
J.Mol.Biol., 295, 2000
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2B0U
 | | The Structure of the Follistatin:Activin Complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Follistatin, IRIDIUM (III) ION, ... | | Authors: | Thompson, T.B, Lerch, T.F, Cook, R.W, Woodruff, T.K, Jardetzky, T.S. | | Deposit date: | 2005-09-14 | | Release date: | 2005-10-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Structure of the Follistatin:Activin Complex Reveals Antagonism of Both Type I and Type II Receptor Binding.
Dev.Cell, 9, 2005
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3DBH
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3EJ1
 | | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | | Descriptor: | Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | | Authors: | Stevens, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | | Deposit date: | 2008-09-17 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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7DMY
 | | The crystal structure of Cpd7 in complex with BPTF bromodomain | | Descriptor: | Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | | Authors: | Xiong, L, Guo, Y, Yang, S. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
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7DN4
 | | The crystal structure of Cpd8 in complex with BPTF bromodomain | | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Xiong, L, Guo, Y, Yang, S. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
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3EED
 | | Crystal structure of human protein kinase CK2 regulatory subunit (CK2beta; mutant 1-193) | | Descriptor: | Casein kinase II subunit beta, SULFATE ION, ZINC ION | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2008-09-04 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The interaction of CK2{alpha} and CK2{beta}, the subunits of protein kinase CK2, requires CK2{beta} in a preformed conformation and is enthalpically driven
Protein Sci., 17, 2008
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3EZT
 | | Crystal Structure Analysis of Human HDAC8 D101E Variant | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ... | | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2008-10-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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7EFX
 | | Crystal Structure of human PIN1 complexed with covalent inhibitor | | Descriptor: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J, Zhu, R, Pei, Y. | | Deposit date: | 2021-03-23 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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3EZR
 | | CDK-2 with indazole inhibitor 17 bound at its active site | | Descriptor: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | Deposit date: | 2008-10-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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7EKV
 | | Crystal Structure of human Pin1 complexed with a covalent inhibitor | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EFJ
 | | Crystal Structure Analysis of human PIN1 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-03-21 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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8THC
 | | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to a cracked PCNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-07-14 | | Release date: | 2024-05-22 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structure of the PCNA unloader Elg1-RFC.
Sci Adv, 10, 2024
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8THD
 | | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to PCNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-07-14 | | Release date: | 2024-05-22 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structure of the PCNA unloader Elg1-RFC.
Sci Adv, 10, 2024
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3CUQ
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7ENQ
 | | Crystal structure of human NAMPT in complex with compound NAT | | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | | Deposit date: | 2021-04-19 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.204966 Å) | | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
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3EZP
 | | Crystal Structure Analysis of human HDAC8 D101N variant | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ... | | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2008-10-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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