4K2I
 
 | | Crystal structure of ntda from bacillus subtilis with bound cofactor pmp | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETATE ION, ... | | Authors: | Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2013-04-09 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.225 Å) | | Cite: | The Structure of NtdA, a Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus subtilis, Reveals a New Subclass of Aminotransferases.
J.Biol.Chem., 288, 2013
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4L8V
 | | Crystal Structure of A12K/D35S mutant myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NADP | | Descriptor: | 1,2-ETHANEDIOL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-06-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Converting NAD-Specific Inositol Dehydrogenase to an Efficient NADP-Selective Catalyst, with a Surprising Twist.
Biochemistry, 52, 2013
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4MIO
 | | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD(H) and myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-09-02 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD(H) and myo-inositol
To be Published
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4MIE
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4MKZ
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4MKX
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4MIN
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4L9R
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4KS2
 | | Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4KS3
 | | Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4KS5
 | | Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4KS4
 | | Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4MIY
 | | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, GLYCEROL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, ... | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-09-02 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and myo-inositol
To be Published
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4N54
 | | Crystal structure of scyllo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD(H) and scyllo-inositol | | Descriptor: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol dehydrogenase | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-10-09 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of scyllo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD(H) and scyllo-inositol
To be Published
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4MJL
 | | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and D-chiro-inositol | | Descriptor: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLYCEROL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, ... | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-09-03 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and D-chiro-inositol
To be Published
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5TA8
 | | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor | | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5TA6
 | | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. | | Descriptor: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5U7R
 | | Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones | | Descriptor: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2 | | Authors: | Hoffman, I.D, Skene, R.J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
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5V4X
 | | Human glucokinase in complex with novel pyrazole activator. | | Descriptor: | (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | | Authors: | Skene, R.J, Hosfiled, D.J. | | Deposit date: | 2017-03-10 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
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5V1B
 | | Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | | Descriptor: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ... | | Authors: | Skene, R.J. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
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5V4W
 | | Human glucokinase in complex with novel indazole activator. | | Descriptor: | (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ... | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2017-03-10 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
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5V18
 | | Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | | Descriptor: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ... | | Authors: | Skene, R.J. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
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5VAD
 | | Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor | | Descriptor: | 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Okada, K, Skene, R.J. | | Deposit date: | 2017-03-24 | | Release date: | 2017-05-31 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline.
Biochem. Biophys. Res. Commun., 488, 2017
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1H0X
 | | Structure of Alba: an archaeal chromatin protein modulated by acetylation | | Descriptor: | DNA BINDING PROTEIN SSO10B | | Authors: | Wardleworth, B.N, Russell, R.J.M, Bell, S.D, Taylor, G.L, White, M.F. | | Deposit date: | 2002-07-01 | | Release date: | 2002-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Alba: An Archaeal Chromatin Protein Modulated by Acetylation
Embo J., 21, 2002
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1HG3
 | | Crystal structure of tetrameric TIM from Pyrococcus woesei. | | Descriptor: | 3-PHOSPHONOPROPANOIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Walden, H, Bell, G.S, Russell, R.J.M, Siebers, B, Hensel, R, Taylor, G.L. | | Deposit date: | 2000-12-12 | | Release date: | 2001-03-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tiny Tim: A Small, Tetrameric, Hyperthermostable Triosephosphate Isomerase
J.Mol.Biol., 306, 2001
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