PDB: 26618 resultsInfo pagesStatus searchChemie searchBIRD

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5YNS	Crystal structure of PETase R280A mutant from Ideonella sakaiensis Descriptor: Poly(ethylene terephthalate) hydrolase Authors: Joo, S, Kim, K.-J. Deposit date: 2017-10-25 Release date: 2018-02-14 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation. Nat Commun, 9, 2018
6POW	Structure of human endotheial nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ... Authors: Chreifi, G, Li, H, Poulos, T.L. Deposit date: 2019-07-05 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.15 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
8CMV	Engineered PETase enzyme from LCC - C09 mutant Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase Authors: Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E. Deposit date: 2023-02-21 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Engineered PETase Enzyme To Be Published
8CMZ	Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A Descriptor: COENZYME A, ZINC ION, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-21 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.252 Å) Cite: Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A To Be Published
6PJQ	Time-resolved structural snapshot of proteolysis by GlpG inside the membrane Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG Authors: Urban, S, Cho, S. Deposit date: 2019-06-28 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release. Nat.Struct.Mol.Biol., 26, 2019
8CN0	Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A Descriptor: COENZYME A, ZINC ION, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-21 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A To Be Published
8CNA	Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.463 Å) Cite: Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
5YC4	Crystal structure of AL3 PHD finger bound to H3K4me3 Descriptor: Histone H3K4me3, PHD finger protein ALFIN-LIKE 3, ZINC ION Authors: Zhao, S, Zhang, B, Li, H. Deposit date: 2017-09-06 Release date: 2018-01-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.697 Å) Cite: Systematic Profiling of Histone Readers in Arabidopsis thaliana. Cell Rep, 22, 2018
8CND	Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.972 Å) Cite: Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
8CNB	Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A Descriptor: COENZYME A, ZINC ION, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.986 Å) Cite: Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A To Be Published
5EL8	The structure of DHAR1 from Arabidopsis thaliana Descriptor: GLYCEROL, Glutathione S-transferase DHAR1, mitochondrial Authors: Menault, M, Roszak, A.W, Lapthorn, A.J. Deposit date: 2015-11-04 Release date: 2016-11-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Arabidopsis thaliana DHAR1 apo structure To Be Published
8CNO	Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2023-02-23 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8CM8	Galectin-8 N-terminal carbohydrate recognition domain in complex with 4-(bromophenyl)phthalazinone D-galactal ligand Descriptor: 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one, CHLORIDE ION, Galectin-8 Authors: Van Klaveren, S, Hakansson, M, Diehl, C, Nilsson, N.J. Deposit date: 2023-02-17 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Halogenated Galactal-Phenylphthalazinone Hybrids as Highly Selective Galectin-8N Ligands To Be Published
8COG	Human arginylated beta-actin Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... Authors: Pinto, C.S, Bakker, S.E, Suchenko, A, Hussain, H, Hatano, T, Sampath, K, Chinthalapudi, K, Mishima, M, Balasubramanian, M. Deposit date: 2023-02-28 Release date: 2024-03-06 Method: ELECTRON MICROSCOPY (3.499 Å) Cite: Structure and physiological investigation of human arginylated beta-actin To Be Published
6PO5	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-03 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.82 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
8COW	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine Descriptor: 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Kirkman, T.J, Dias, M.V.B, Coyne, A.G. Deposit date: 2023-03-01 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Currently unpublished To Be Published
8COP	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Kirkman, T.J, Dias, M.V.B. Deposit date: 2023-02-28 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase To Be Published
6PP3	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-05 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
8COX	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Kirkman, T.J, Dias, M.V.B, Coyne, A.G. Deposit date: 2023-03-01 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Currently unpublished To Be Published
8COQ	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine Descriptor: 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Kirkman, T.J, Dias, M.V.B. Deposit date: 2023-02-28 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Currently unpublished To Be Published
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
8CQ8	Mycobacterium tuberculosis dihydrofolate reductase in complex with methyl 4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)benzoate Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Kirkman, T.J, Dias, M.V.B, Coyne, A.G. Deposit date: 2023-03-04 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
8CQ9	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... Authors: Kirkman, T.J, Dias, M.V.B, Coyne, A.G. Deposit date: 2023-03-04 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
8CQA	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Kirkman, T.J, Dias, M.V.B, Coyne, A.G. Deposit date: 2023-03-04 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
8CNM	Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose Descriptor: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2023-02-23 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

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