4DHQ
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![BU of 4dhq by Molmil](/molmil-images/mine/4dhq) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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2N4T
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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4DHM
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![BU of 4dhm by Molmil](/molmil-images/mine/4dhm) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHT
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![BU of 4dht by Molmil](/molmil-images/mine/4dht) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | 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: | 2019-05-22 | Method: | X-RAY DIFFRACTION (3.011 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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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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4DHN
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![BU of 4dhn by Molmil](/molmil-images/mine/4dhn) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHR
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![BU of 4dhr by Molmil](/molmil-images/mine/4dhr) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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1T64
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![BU of 1t64 by Molmil](/molmil-images/mine/1t64) | Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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4AY9
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![BU of 4ay9 by Molmil](/molmil-images/mine/4ay9) | Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ... | Authors: | Jiang, X, Liu, H, Chen, X, He, X. | Deposit date: | 2012-06-19 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor. Proc.Natl.Acad.Sci.USA, 109, 2012
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1SAN
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![BU of 1san by Molmil](/molmil-images/mine/1san) | |
4BV8
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![BU of 4bv8 by Molmil](/molmil-images/mine/4bv8) | Crystal structure of the apo form of mouse Mu-crystallin. | Descriptor: | GLYCEROL, POTASSIUM ION, THIOMORPHOLINE-CARBOXYLATE DEHYDROGENASE | Authors: | Borel, F, Hachi, I, Palencia, A, Gaillard, M.C, Ferrer, J.L. | Deposit date: | 2013-06-25 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Mouse Mu-Crystallin Complexed with Nadph and the T3 Thyroid Hormone FEBS J., 281, 2014
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2P9L
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![BU of 2p9l by Molmil](/molmil-images/mine/2p9l) | Crystal Structure of bovine Arp2/3 complex | Descriptor: | Actin-like protein 2, Actin-like protein 3, Actin-related protein 2/3 complex subunit 1B, ... | Authors: | Nolen, B.J, Pollard, T.D. | Deposit date: | 2007-03-26 | Release date: | 2007-05-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex. Mol.Cell, 26, 2007
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5GG4
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![BU of 5gg4 by Molmil](/molmil-images/mine/5gg4) | Crystal structure of USP7 with RNF169 peptide | Descriptor: | Peptide from E3 ubiquitin-protein ligase RNF169, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Jiang, Y, Gong, Q. | Deposit date: | 2016-06-15 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Dual-utility NLS drives RNF169-dependent DNA damage responses. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2P6A
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![BU of 2p6a by Molmil](/molmil-images/mine/2p6a) | The structure of the Activin:Follistatin 315 complex | Descriptor: | Follistatin, Inhibin beta A chain, probable fragment of follistatin | Authors: | Lerch, T.F, Shimasaki, S, Woodruff, T.K, Jardetzky, T.S. | Deposit date: | 2007-03-16 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural and biophysical coupling of heparin and activin binding to follistatin isoform functions. J.Biol.Chem., 282, 2007
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1RML
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![BU of 1rml by Molmil](/molmil-images/mine/1rml) | NMR STUDY OF ACID FIBROBLAST GROWTH FACTOR BOUND TO 1,3,6-NAPHTHALENE TRISULPHONATE, 26 STRUCTURES | Descriptor: | ACIDIC FIBROBLAST GROWTH FACTOR, NAPHTHALENE TRISULFONATE | Authors: | Lozano, R.M, Jimenez, M.A, Santoro, J, Rico, M, Gimenez-Gallego, G. | Deposit date: | 1998-05-21 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas. J.Mol.Biol., 281, 1998
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2NTD
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![BU of 2ntd by Molmil](/molmil-images/mine/2ntd) | |
4DHP
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![BU of 4dhp by Molmil](/molmil-images/mine/4dhp) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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1ULX
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![BU of 1ulx by Molmil](/molmil-images/mine/1ulx) | Partially photolyzed structure of CO-bound heme-heme oxygenase complex | Descriptor: | CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Noguchi, M, Fukuyama, K. | Deposit date: | 2003-09-16 | Release date: | 2004-08-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CO-trapping site in heme oxygenase revealed by photolysis of its co-bound heme complex: mechanism of escaping from product inhibition J.Mol.Biol., 341, 2004
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1URC
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![BU of 1urc by Molmil](/molmil-images/mine/1urc) | Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-10-28 | Release date: | 2003-10-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Org. Biomol. Chem., 2, 2004
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4DAT
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![BU of 4dat by Molmil](/molmil-images/mine/4dat) | |
1RHG
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1RHP
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4BCH
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![BU of 4bch by Molmil](/molmil-images/mine/4bch) | Structure of CDK9 in complex with cyclin T 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-DEPENDENT KINASE 9, CYCLIN-T1, ... | 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: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.958 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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