3R9C
 
 | | Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... | | Authors: | Agnew, C.R.J, Kelly, S.L, Brady, R.L. | | Deposit date: | 2011-03-25 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Antimicrob.Agents Chemother., 56, 2012
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4D8S
 | | Influenza NA in complex with antiviral compound | | Descriptor: | CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | | Authors: | Kerry, P.S, Russell, R.J.M.R. | | Deposit date: | 2012-01-11 | | Release date: | 2013-02-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
J.Med.Chem., 55, 2012
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3RVC
 | | Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | | Descriptor: | Non-structural protein 1 | | Authors: | Kerry, P.S, Long, E, Taylor, M.A, Russell, R.J.M. | | Deposit date: | 2011-05-06 | | Release date: | 2011-08-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conservation of a crystallographic interface suggests a role for beta-sheet augmentation in influenza virus NS1 multifunctionality.
Acta Crystallogr.,Sect.F, 67, 2011
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1TL7
 | | Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With 2'(3')-O-(N-methylanthraniloyl)-guanosine 5'-triphosphate and Mn | | Descriptor: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ... | | Authors: | Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
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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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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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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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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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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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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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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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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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1H0Y
 | | Structure of Alba: an archaeal chromatin protein modulated by acetylation | | Descriptor: | DNA BINDING PROTEIN SSO10B, SULFATE ION | | 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: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Alba: An Archaeal Chromatin Protein Modulated by Acetylation
Embo J., 21, 2002
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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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1FI8
 | | RAT GRANZYME B [N66Q] COMPLEXED TO ECOTIN [81-84 IEPD] | | Descriptor: | ECOTIN, NATURAL KILLER CELL PROTEASE 1 | | Authors: | Waugh, S.M, Harris, J.L, Fletterick, R.J, Craik, C.S. | | Deposit date: | 2000-08-03 | | Release date: | 2000-09-13 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the pro-apoptotic protease granzyme B reveals the molecular determinants of its specificity
Nat.Struct.Biol., 7, 2000
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