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5CLE	Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic-site analog and a free 3-methyladenine nucleobase Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(3DR)P*AP*GP*TP*CP*CP*G)-3'), ... Authors: Mullins, E.A, Eichman, B.F. Deposit date: 2015-07-16 Release date: 2015-10-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions. Nature, 527, 2015
3NST	Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans Descriptor: FE (II) ION, GLYCEROL, Gentisate 1,2-dioxygenase Authors: Ferraroni, M, Briganti, F, Matera, I. Deposit date: 2010-07-02 Release date: 2011-07-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate. FEBS J., 280, 2013
5CL3	Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (100% substrate at 4 hours) Descriptor: AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*TP*TP*CP*GP*GP*G)-3') Authors: Mullins, E.A, Eichman, B.F. Deposit date: 2015-07-16 Release date: 2015-10-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.971 Å) Cite: The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions. Nature, 527, 2015
5CL8	Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 144 hours) Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ... Authors: Mullins, E.A, Eichman, B.F. Deposit date: 2015-07-16 Release date: 2015-10-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.38 Å) Cite: The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions. Nature, 527, 2015
3W2S	EGFR kinase domain with compound4 Descriptor: 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION Authors: Sogabe, S, Kawakita, Y, Igaki, S. Deposit date: 2012-12-03 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
2MQO	Structural Investigation of hnRNP L bound to RNA Descriptor: Protein Hnrnpl, RNA (5'-R(*CP*AP*CP*AP*CP*A)-3') Authors: Blatter, M, Allain, F. Deposit date: 2014-06-24 Release date: 2015-12-23 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Structural Investigation of hnRNP L bound to RNA To be Published
3NVC	Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with salicylate Descriptor: 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ... Authors: Ferraroni, M, Briganti, F, Matera, I. Deposit date: 2010-07-08 Release date: 2011-07-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.45 Å) Cite: The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate. FEBS J., 280, 2013
3W2O	EGFR Kinase domain T790M/L858R Mutant with TAK-285 Descriptor: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide Authors: Sogabe, S, Kawakita, Y, Igaki, S. Deposit date: 2012-12-03 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
2MX2	UBX-L domain of VCIP135 Descriptor: Deubiquitinating protein VCIP135 Authors: Iwazu, T, Murayama, S, Igarashi, R, Hrioaki, H, Shirakawa, M, Tochio, H. Deposit date: 2014-12-07 Release date: 2016-07-13 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Structure and interaction mode of the UBX-L domain of VCIP135 determined by solution NMR spectroscopy To be Published
6MW0	Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A. Descriptor: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A Authors: Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. Deposit date: 2018-10-29 Release date: 2019-09-11 Method: X-RAY DIFFRACTION (0.78 Å) Cite: Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
5CL9	Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 240 hours) Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ... Authors: Mullins, E.A, Eichman, B.F. Deposit date: 2015-07-16 Release date: 2015-10-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.538 Å) Cite: The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions. Nature, 527, 2015
6MW1	cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A. Descriptor: Pseudoxylallemycin A Authors: Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. Deposit date: 2018-10-29 Release date: 2019-09-11 Method: X-RAY DIFFRACTION (0.77 Å) Cite: Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
3W2P	EGFR Kinase domain T790M/L858R mutant with compound 2 Descriptor: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide Authors: Sogabe, S, Kawakita, Y, Igaki, S. Deposit date: 2012-12-03 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
1K5O	CPI-17(35-120) deletion mutant Descriptor: CPI-17 Authors: Ohki, S, Eto, M, Kariya, E, Hayano, T, Hayashi, Y, Yazawa, M, Brautigan, D, Kainosho, M. Deposit date: 2001-10-11 Release date: 2002-10-11 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution NMR Structure of the Myosin Phosphatase Inhibitor Protein CPI-17 Shows Phosphorylation-induced Conformational Changes Responsible for Activation J.Mol.Biol., 314, 2001
3W2R	EGFR Kinase domain T790M/L858R mutant with compound 4 Descriptor: 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor Authors: Sogabe, S, Kawakita, Y, Igaki, S. Deposit date: 2012-12-03 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
5F16	CTA-modified hen egg-white lysozyme Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION Authors: McGlone, C, Nix, J.C, Page, R.C. Deposit date: 2015-11-30 Release date: 2016-02-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates. Biomacromolecules, 17, 2016
3S1E	Pro427Gln mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... Authors: Kopecny, D, Briozzo, P, Morera, S. Deposit date: 2011-05-15 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
3RYF	GTP-Tubulin: RB3 Stathmin-like domain complex Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... Authors: Nawrotek, A, Knossow, M, Gigant, B. Deposit date: 2011-05-11 Release date: 2011-10-05 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.52 Å) Cite: The Determinants That Govern Microtubule Assembly from the Atomic Structure of GTP-Tubulin. J.Mol.Biol., 412, 2011
3WAS	Crystal structure of 4-O-beta-D-mannosyl-D-glucose phosphorylase MGP complexed with Man-Glc+PO4 Descriptor: 4-O-beta-D-mannosyl-D-glucose phosphorylase, PHOSPHATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose Authors: Nakae, S, Ito, S, Higa, M, Senoura, T, Wasaki, J, Hijikata, A, Shionyu, M, Ito, S, Shirai, T. Deposit date: 2013-05-08 Release date: 2013-09-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP J.Mol.Biol., 425, 2013
1KOY	NMR structure of DFF-C domain Descriptor: DNA fragmentation factor alpha subunit Authors: Fukushima, K, Kikuchi, J, Koshiba, S, Kigawa, T, Kuroda, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2001-12-25 Release date: 2002-09-04 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of the DFF-C domain of DFF45/ICAD. A structural basis for the regulation of apoptotic DNA fragmentation. J.Mol.Biol., 321, 2002
1KRQ	CRYSTAL STRUCTURE ANALYSIS OF CAMPYLOBACTER JEJUNI FERRITIN Descriptor: ferritin Authors: Hortolan, L, Saintout, N, Granier, G, Langlois d'Estaintot, B, Manigand, C, Mizunoe, Y, Wai, S.N, Gallois, B, Precigoux, G. Deposit date: 2002-01-10 Release date: 2002-02-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: STRUCTURE OF CAMPYLOBACTER JEJUNI FERRITIN AT 2.7 A RESOLUTION To be Published
6MW2	cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A. Descriptor: pseudoxylallemycin A Authors: Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. Deposit date: 2018-10-29 Release date: 2019-09-11 Last modified: 2019-10-02 Method: X-RAY DIFFRACTION (0.77 Å) Cite: Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
3WU8	Spatiotemporal development of soaked protein crystal; derivative 1080 sec Descriptor: Lysozyme C, PLATINUM (IV) ION Authors: Mizutani, R, Saiga, R. Deposit date: 2014-04-23 Release date: 2014-07-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Spatiotemporal development of soaked protein crystal Sci Rep, 4, 2014
5YKE	Structure of pancreatic ATP-sensitive potassium channel bound with glibenclamide and ATPgammaS (focused refinement on TM at 4.11A) Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11 Authors: Chen, L, Wu, J.X. Deposit date: 2017-10-14 Release date: 2018-04-18 Last modified: 2018-06-13 Method: ELECTRON MICROSCOPY (4.11 Å) Cite: Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels. Protein Cell, 9, 2018
3WD6	Crystal structure of Bombyx mori omega-class glutathione transferase in complex with GSH Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... Authors: Yamamoto, K, Suzuki, M, Higashiura, A, Nakagawa, A. Deposit date: 2013-06-07 Release date: 2014-07-16 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Three-dimensional structure of a Bombyx mori Omega-class glutathione transferase. Biochem.Biophys.Res.Commun., 438, 2013

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