6D9F
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![BU of 6d9f by Molmil](/molmil-images/mine/6d9f) | Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ... | Authors: | Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B. | Deposit date: | 2018-04-28 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily. Biochemistry, 59, 2020
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1J7G
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2QYB
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2QMX
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![BU of 2qmx by Molmil](/molmil-images/mine/2qmx) | The crystal structure of L-Phe inhibited prephenate dehydratase from Chlorobium tepidum TLS | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PHENYLALANINE, ... | Authors: | Tan, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-17 | Release date: | 2007-08-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of open (R) and close (T) states of prephenate dehydratase (PDT) - implication of allosteric regulation by L-phenylalanine. J.Struct.Biol., 162, 2008
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7VDQ
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![BU of 7vdq by Molmil](/molmil-images/mine/7vdq) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDS
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![BU of 7vds by Molmil](/molmil-images/mine/7vds) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDR
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![BU of 7vdr by Molmil](/molmil-images/mine/7vdr) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | Descriptor: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDP
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![BU of 7vdp by Molmil](/molmil-images/mine/7vdp) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDU
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![BU of 7vdu by Molmil](/molmil-images/mine/7vdu) | The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | Descriptor: | Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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2WHO
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3P2W
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![BU of 3p2w by Molmil](/molmil-images/mine/3p2w) | Unliganded form of Polo-like kinase I Polo-box domain | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1 | Authors: | Sledz, P, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P34
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![BU of 3p34 by Molmil](/molmil-images/mine/3p34) | Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Sledz, P, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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4R82
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![BU of 4r82 by Molmil](/molmil-images/mine/4r82) | Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-08-29 | Release date: | 2014-10-01 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
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3P35
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4JOA
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![BU of 4joa by Molmil](/molmil-images/mine/4joa) | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | Deposit date: | 2013-03-18 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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3ZCJ
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3ZCI
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3P37
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4AFE
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![BU of 4afe by Molmil](/molmil-images/mine/4afe) | Nek2 bound to hybrid compound 21 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R. | Deposit date: | 2012-01-19 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55, 2012
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2XK3
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![BU of 2xk3 by Molmil](/molmil-images/mine/2xk3) | Structure of Nek2 bound to Aminopyrazine compound 35 | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XK4
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![BU of 2xk4 by Molmil](/molmil-images/mine/2xk4) | Structure of Nek2 bound to aminopyrazine compound 17 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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4A4X
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![BU of 4a4x by Molmil](/molmil-images/mine/4a4x) | NEK2-EDE bound to CCT248662 | Descriptor: | 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2011-10-20 | Release date: | 2012-04-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55, 2012
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3B2Z
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![BU of 3b2z by Molmil](/molmil-images/mine/3b2z) | Crystal Structure of ADAMTS4 (apo form) | Descriptor: | ADAMTS-4, CALCIUM ION, ZINC ION | Authors: | Mosyak, L, Stahl, M, Somers, W. | Deposit date: | 2007-10-19 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5. Protein Sci., 17, 2008
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5WJE
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![BU of 5wje by Molmil](/molmil-images/mine/5wje) | Crystal structure of Naa80 bound to a bisubstrate analogue | Descriptor: | Actin N-terminus peptide, CARBOXYMETHYL COENZYME *A, CG8481, ... | Authors: | Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T. | Deposit date: | 2017-07-21 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4KBQ
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![BU of 4kbq by Molmil](/molmil-images/mine/4kbq) | Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains | Descriptor: | E3 ubiquitin-protein ligase CHIP, Heat shock cognate 71 kDa protein | Authors: | Page, R.C, Amick, J, Nix, J.C, Misra, S. | Deposit date: | 2013-04-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | A Bipartite Interaction between Hsp70 and CHIP Regulates Ubiquitination of Chaperoned Client Proteins. Structure, 23, 2015
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