3EW8
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![BU of 3ew8 by Molmil](/molmil-images/mine/3ew8) | Crystal Structure Analysis of human HDAC8 D101L variant | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-14 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 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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2R3J
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![BU of 2r3j by Molmil](/molmil-images/mine/2r3j) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-bromo-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 (1.65 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3O
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![BU of 2r3o by Molmil](/molmil-images/mine/2r3o) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, 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 (1.8 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3L
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![BU of 2r3l by Molmil](/molmil-images/mine/2r3l) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-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 (1.65 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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3GZN
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![BU of 3gzn by Molmil](/molmil-images/mine/3gzn) | Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | Descriptor: | NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... | Authors: | Sintchak, M.D. | Deposit date: | 2009-04-07 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ. Mol.Cell, 37, 2010
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2R9Y
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![BU of 2r9y by Molmil](/molmil-images/mine/2r9y) | Structure of antiplasmin | Descriptor: | Alpha-2-antiplasmin | Authors: | Law, R.H.P, Sofian, T, Kan, W.T, Horvath, A.J, Hitchen, C.R, Langendorf, C.G, Buckle, A.M, Whisstock, J.C, Coughlin, P.B. | Deposit date: | 2007-09-14 | Release date: | 2007-12-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray crystal structure of the fibrinolysis inhibitor {alpha}2-antiplasmin Blood, 111, 2008
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2RFM
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![BU of 2rfm by Molmil](/molmil-images/mine/2rfm) | Structure of a Thermophilic Ankyrin Repeat Protein | Descriptor: | 1,3-BUTANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Loew, C, Weininger, U, Neumann, P, Stubbs, M.T, Balbach, J. | Deposit date: | 2007-10-01 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein Proc.Natl.Acad.Sci.Usa, 105, 2008
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2RG3
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![BU of 2rg3 by Molmil](/molmil-images/mine/2rg3) | Covalent complex structure of elastase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Leukocyte elastase | Authors: | Huang, W, Yamamoto, Y. | Deposit date: | 2007-10-02 | Release date: | 2008-07-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives. J.Med.Chem., 51, 2008
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3G8E
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![BU of 3g8e by Molmil](/molmil-images/mine/3g8e) | Crystal Structure of Rattus norvegicus Visfatin/PBEF/Nampt in Complex with an FK866-based inhibitor | Descriptor: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium, Nicotinamide phosphoribosyltransferase | Authors: | Kang, G.B, Bae, M.H, Kim, M.K, Im, I, Kim, Y.C, Eom, S.H. | Deposit date: | 2009-02-12 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of Rattus norvegicus Visfatin/PBEF/Nampt in complex with an FK866-based inhibitor Mol.Cells, 27, 2009
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3FZ1
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![BU of 3fz1 by Molmil](/molmil-images/mine/3fz1) | Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2) | Descriptor: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, Cell division protein kinase 2 | Authors: | Kurumbail, R.G, Caspers, N. | Deposit date: | 2009-01-23 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg.Med.Chem.Lett., 19, 2009
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2R64
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![BU of 2r64 by Molmil](/molmil-images/mine/2r64) | Crystal structure of a 3-aminoindazole compound with CDK2 | Descriptor: | Cell division protein kinase 2, N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | Authors: | Lee, J, Choi, H, Kim, K.H, Jeong, S, Park, J.W, Baek, C.S, Lee, S.H. | Deposit date: | 2007-09-05 | Release date: | 2008-09-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2UZE
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![BU of 2uze by Molmil](/molmil-images/mine/2uze) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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3GAT
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![BU of 3gat by Molmil](/molmil-images/mine/3gat) | SOLUTION NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, 34 STRUCTURES | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | Authors: | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1997-11-07 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
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2VEQ
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![BU of 2veq by Molmil](/molmil-images/mine/2veq) | |
2V5X
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![BU of 2v5x by Molmil](/molmil-images/mine/2v5x) | Crystal structure of HDAC8-inhibitor complex | Descriptor: | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | Authors: | Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C. | Deposit date: | 2007-07-10 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex Embo Rep., 8, 2007
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2VI6
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![BU of 2vi6 by Molmil](/molmil-images/mine/2vi6) | Crystal Structure of the Nanog Homeodomain | Descriptor: | HOMEOBOX PROTEIN NANOG | Authors: | Jauch, R, Ng, C.K.L, Saitakendu, K.S, Stevens, R.C, Kolatkar, P.R. | Deposit date: | 2007-11-28 | Release date: | 2008-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure and DNA Binding of the Homeodomain of the Stem Cell Transcription Factor Nanog. J.Mol.Biol., 376, 2008
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2STW
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![BU of 2stw by Molmil](/molmil-images/mine/2stw) | SOLUTION NMR STRUCTURE OF THE HUMAN ETS1/DNA COMPLEX, RESTRAINED REGULARIZED MEAN STRUCTURE | Descriptor: | DNA (5'-D(*TP*CP*GP*AP*AP*CP*TP*TP*CP*CP*GP*GP*CP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*CP*CP*GP*GP*AP*AP*GP*TP*TP*CP*GP*A)-3'), ETS1 | Authors: | Clore, G.M, Werner, M.H, Gronenborn, A.M. | Deposit date: | 1996-08-05 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Correction of the NMR structure of the ETS1/DNA complex. J.Biomol.NMR, 10, 1997
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2W9Z
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![BU of 2w9z by Molmil](/molmil-images/mine/2w9z) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-30 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2R3G
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![BU of 2r3g by Molmil](/molmil-images/mine/2r3g) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-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 (1.55 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3I
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![BU of 2r3i by Molmil](/molmil-images/mine/2r3i) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 5-(2-fluorophenyl)-N-(pyridin-4-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 (1.28 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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3F06
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![BU of 3f06 by Molmil](/molmil-images/mine/3f06) | Crystal Structure Analysis of Human HDAC8 D101A 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: | 2008-10-24 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 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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2R3M
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![BU of 2r3m by Molmil](/molmil-images/mine/2r3m) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | 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: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3F
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![BU of 2r3f by Molmil](/molmil-images/mine/2r3f) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 5-(2,3-dichlorophenyl)-N-(pyridin-4-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 (1.5 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2R3Q
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![BU of 2r3q by Molmil](/molmil-images/mine/2r3q) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide, 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 (1.35 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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3I9T
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![BU of 3i9t by Molmil](/molmil-images/mine/3i9t) | Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithiothreitol (DTT) | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | Deposit date: | 2009-07-13 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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