5AE8
 
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | Descriptor: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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5AE9
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | | Descriptor: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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6GQ2
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6GQC
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5HNE
 | | X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ... | | Authors: | Somers, D.O. | | Deposit date: | 2016-01-18 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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6GQ5
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8BTZ
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6TQL
 | | Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | | Deposit date: | 2019-12-16 | | Release date: | 2020-11-04 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
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6TOE
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6TO4
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6TQK
 | | Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | | Deposit date: | 2019-12-16 | | Release date: | 2020-11-04 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
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8BU8
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3KMG
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8PPW
 | | Structure of human PARK7 in complex with GK16S | | Descriptor: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Grethe, C, Gersch, M. | | Deposit date: | 2023-07-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4ZHX
 | | Novel binding site for allosteric activation of AMPK | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | | Deposit date: | 2015-04-27 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
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5A03
 | | Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with xylose | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Taberman, H, Rouvinen, J, Parkkinen, T. | | Deposit date: | 2015-04-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
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8PQ0
 | | Structure of human PARK7 in complex with GK16R | | Descriptor: | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7 | | Authors: | Grethe, C, Gersch, M. | | Deposit date: | 2023-07-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8PW1
 | | Structure of human UCHL1 in complex with CG341 inhibitor | | Descriptor: | (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | Authors: | Grethe, C, Gersch, M. | | Deposit date: | 2023-07-19 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5A05
 | | Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with maltotriose | | Descriptor: | ALDOSE-ALDOSE OXIDOREDUCTASE, MALONATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Taberman, H, Rouvinen, J, Parkkinen, T. | | Deposit date: | 2015-04-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
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5A04
 | | Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glucose | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Taberman, H, Rouvinen, J, Parkkinen, T. | | Deposit date: | 2015-04-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
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7E56
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5A06
 | | Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with sorbitol | | Descriptor: | ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Taberman, H, Rouvinen, J, Parkkinen, T. | | Deposit date: | 2015-04-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
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5A02
 | | Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glycerol | | Descriptor: | ALDOSE-ALDOSE OXIDOREDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Taberman, H, Rouvinen, J, Parkkinen, T. | | Deposit date: | 2015-04-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
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8A4C
 | | Structure of human Rep15:Rab3B complex. | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab15 effector protein, ... | | Authors: | Rai, A, Vetter, I.R, Goody, R.S. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector.
Nat Commun, 13, 2022
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8A4B
 | | Structure of human Rep15:Rab3B_Q81L complex. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab15 effector protein, ... | | Authors: | Rai, A, Vetter, I.R, Goody, R.S. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector.
Nat Commun, 13, 2022
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