1PPG
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![BU of 1ppg by Molmil](/molmil-images/mine/1ppg) | The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor | Descriptor: | HUMAN LEUKOCYTE ELASTASE, MEO-SUCCINYL-ALA-ALA-PRO-VAL CHLOROMETHYLKETONE, alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bode, W, Wei, A-Z. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The refined 2.3 A crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor. FEBS Lett., 234, 1988
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1Q04
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![BU of 1q04 by Molmil](/molmil-images/mine/1q04) | Crystal structure of FGF-1, S50E/V51N | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1 | Authors: | Kim, J, Blaber, M. | Deposit date: | 2003-07-15 | Release date: | 2004-07-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor Protein Sci., 14, 2005
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1Q03
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![BU of 1q03 by Molmil](/molmil-images/mine/1q03) | Crystal structure of FGF-1, S50G/V51G mutant | Descriptor: | Heparin-binding growth factor 1 | Authors: | Kim, J, Blaber, M. | Deposit date: | 2003-07-15 | Release date: | 2004-07-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor Protein Sci., 14, 2005
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1PXK
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![BU of 1pxk by Molmil](/molmil-images/mine/1pxk) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | Deposit date: | 2003-07-04 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
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1PXL
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![BU of 1pxl by Molmil](/molmil-images/mine/1pxl) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | Deposit date: | 2003-07-04 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
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1PUE
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![BU of 1pue by Molmil](/molmil-images/mine/1pue) | PU.1 ETS DOMAIN-DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*GP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*CP*CP*TP*TP*TP*T)-3'), PROTEIN (TRANSCRIPTION FACTOR PU.1 (TF PU.1)) | Authors: | Kodandapani, R, Pio, F, Ni, C.Z, Piccialli, G, Klemsz, M, McKercher, S, Maki, R.A, Ely, K.R. | Deposit date: | 1996-07-08 | Release date: | 1997-02-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A new pattern for helix-turn-helix recognition revealed by the PU.1 ETS-domain-DNA complex. Nature, 380, 1996
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1POG
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![BU of 1pog by Molmil](/molmil-images/mine/1pog) | SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS | Descriptor: | OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN | Authors: | Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R. | Deposit date: | 1994-10-12 | Release date: | 1995-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics. J.Biomol.NMR, 6, 1995
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1PYC
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![BU of 1pyc by Molmil](/molmil-images/mine/1pyc) | CYP1 (HAP1) DNA-BINDING DOMAIN (RESIDUES 60-100), NMR, 15 STRUCTURES | Descriptor: | CYP1, ZINC ION | Authors: | Timmerman, J, Vuidepot, A.-L, Bontems, F, Lallemand, J.-Y, Gervais, M, Shechter, E, Guiard, B. | Deposit date: | 1996-02-17 | Release date: | 1996-08-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 1H, 15N resonance assignment and three-dimensional structure of CYP1 (HAP1) DNA-binding domain. J.Mol.Biol., 259, 1996
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1PIN
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![BU of 1pin by Molmil](/molmil-images/mine/1pin) | PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ... | Authors: | Noel, J.P, Ranganathan, R, Hunter, T. | Deposit date: | 1998-06-21 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent. Cell(Cambridge,Mass.), 89, 1997
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4ACM
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![BU of 4acm by Molmil](/molmil-images/mine/4acm) | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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4APQ
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![BU of 4apq by Molmil](/molmil-images/mine/4apq) | Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-sulfatide | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, ... | Authors: | Clarke, A.J, Le Nours, J, Rossjohn, J. | Deposit date: | 2012-04-05 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Type-II Natural Killer T Cell Antigen Receptor Mediated Recognition of Cd1D-Sulfatide To be Published
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4BCQ
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![BU of 4bcq by Molmil](/molmil-images/mine/4bcq) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)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: | 2013-01-09 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.4 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
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4BL8
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![BU of 4bl8 by Molmil](/molmil-images/mine/4bl8) | Crystal structure of full-length human Suppressor of fused (SUFU) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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3EZT
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![BU of 3ezt by Molmil](/molmil-images/mine/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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2QRD
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![BU of 2qrd by Molmil](/molmil-images/mine/2qrd) | Crystal Structure of the Adenylate Sensor from AMP-activated Protein Kinase in complex with ADP and ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Protein C1556.08c, ... | Authors: | Jin, X, Townley, R, Shapiro, L. | Deposit date: | 2007-07-28 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Insight into AMPK Regulation: ADP Comes into Play. Structure, 15, 2007
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2Q9X
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![BU of 2q9x by Molmil](/molmil-images/mine/2q9x) | Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1 | Descriptor: | GLYCEROL, Heparin-binding growth factor 1 | Authors: | Szlachcic, A, Zakrzewska, M, Krowarsch, D, Os, V, Helland, R, Otlewski, J. | Deposit date: | 2007-06-14 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1 To be Published
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3EZR
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![BU of 3ezr by Molmil](/molmil-images/mine/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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2QRE
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![BU of 2qre by Molmil](/molmil-images/mine/2qre) | Crystal structure of the adenylate sensor from AMP-activated protein kinase in complex with 5-aminoimidazole-4-carboxamide 1-beta-D-ribofuranotide (ZMP) | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Protein C1556.08c, SNF1-like protein kinase ssp2, ... | Authors: | Jin, X, Townley, R, Shapiro, L. | Deposit date: | 2007-07-28 | Release date: | 2007-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Insight into AMPK Regulation: ADP Comes into Play. Structure, 15, 2007
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3EZP
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![BU of 3ezp by Molmil](/molmil-images/mine/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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2R3P
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![BU of 2r3p by Molmil](/molmil-images/mine/2r3p) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | Deposit date: | 2007-08-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3K
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![BU of 2r3k by Molmil](/molmil-images/mine/2r3k) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2 | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | Deposit date: | 2007-08-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2QR1
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![BU of 2qr1 by Molmil](/molmil-images/mine/2qr1) | Crystal structure of the adenylate sensor from AMP-activated protein kinase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein C1556.08c, SNF1-like protein kinase ssp2, ... | Authors: | Jin, X, Townley, R, Shapiro, L. | Deposit date: | 2007-07-27 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insight into AMPK Regulation: ADP Comes into Play. Structure, 15, 2007
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3F5X
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![BU of 3f5x by Molmil](/molmil-images/mine/3f5x) | CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | 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: | 2008-11-04 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 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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2R3N
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![BU of 2r3n by Molmil](/molmil-images/mine/2r3n) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | Deposit date: | 2007-08-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2QDJ
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![BU of 2qdj by Molmil](/molmil-images/mine/2qdj) | Crystal structure of the Retinoblastoma protein N-domain provides insight into tumor suppression, ligand interaction and holoprotein architecture | Descriptor: | Retinoblastoma-associated protein | Authors: | Hassler, M, Mittnacht, S, Pearl, L.H. | Deposit date: | 2007-06-21 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the retinoblastoma protein N domain provides insight into tumor suppression, ligand interaction, and holoprotein architecture. Mol.Cell, 28, 2007
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