8X5D
 
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4OWW
 | | Structural basis of SOSS1 in complex with a 35nt ssDNA | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), Integrator complex subunit 3, SOSS complex subunit B1, ... | | Authors: | Ren, W, Sun, Q, Tang, X, Song, H. | | Deposit date: | 2014-02-04 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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4WZF
 | | Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION | | Authors: | Dong, W.Y, Fu, Z.F, Peng, G.Q. | | Deposit date: | 2014-11-19 | | Release date: | 2015-12-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
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3OAW
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3SOW
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4N0S
 | | Complex of ERK2 with caffeic acid | | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Kurinov, I, Malakhova, M. | | Deposit date: | 2013-10-02 | | Release date: | 2014-08-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7992 Å) | | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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2B53
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2B55
 | | Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312 | | Descriptor: | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2 | | Authors: | Muckelbauer, J. | | Deposit date: | 2005-09-27 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
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4DCE
 | | Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor | | Descriptor: | (3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor | | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | | Deposit date: | 2012-01-17 | | Release date: | 2012-02-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors.
J.Med.Chem., 55, 2012
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2013-12-20 | | Release date: | 2014-05-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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3SOU
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3SOX
 | | Structure of UHRF1 PHD finger in the free form | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | | Authors: | Rajakumara, E, Patel, D.J. | | Deposit date: | 2011-06-30 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6501 Å) | | Cite: | PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
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2B52
 | | Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562 | | Descriptor: | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA, Cell division protein kinase 2 | | Authors: | Muckelbauer, J. | | Deposit date: | 2005-09-27 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. Part 4: Heterocycles at C3
Bioorg.Med.Chem.Lett., 14, 2004
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3NUP
 | | CDK6 (monomeric) in complex with inhibitor | | Descriptor: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | Authors: | Chopra, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
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3NUX
 | | CDK6 (monomeric) in complex with inhibitor | | Descriptor: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | Authors: | Chopra, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-12-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
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1OS0
 | | Thermolysin with an alpha-amino phosphinic inhibitor | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | | Authors: | Selkti, M, Tomas, A, Prange, T. | | Deposit date: | 2003-03-18 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interactions of a new alpha-aminophosphinic derivative inside the active site of TLN (thermolysin): a model for zinc-metalloendopeptidase inhibition.
Acta Crystallogr.,Sect.D, 59, 2003
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6UPU
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6UPS
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6UWU
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | | Authors: | Leonard, P.G, Joseph, S. | | Deposit date: | 2019-11-05 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
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3UDJ
 | | Crystal Structure of BACE with Compound 5 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDR
 | | Crystal Structure of BACE with Compound 14 | | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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4OWT
 | | Structural basis of SOSS1 complex assembly | | Descriptor: | Integrator complex subunit 3, SOSS complex subunit B1, SOSS complex subunit C | | Authors: | Ren, W, Sun, Q, Tang, X, Song, H. | | Deposit date: | 2014-02-03 | | Release date: | 2014-04-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
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4OWX
 | | Structural basis of SOSS1 in complex with a 12nt ssDNA | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Integrator complex subunit 3, SOSS complex subunit B1 | | Authors: | Ren, W, Sun, Q, Tang, X, Song, H. | | Deposit date: | 2014-02-04 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
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