6WVO
| Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD and HI-6 | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-06 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVQ
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GP | Descriptor: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-06 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVC
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GD | Descriptor: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVP
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GF | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-06 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WV1
| Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUY
| Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GA and HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUV
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUZ
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GB | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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8GH7
| 142D6 bound to BIR3-XIAP | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BIR3 inhibitor MAA-CHG-PRO-ZHW, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Garza-Granados, A, McGuire, J, Baggio, C, Pellecchia, M, Pegan, S.D. | Deposit date: | 2023-03-09 | Release date: | 2023-07-05 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist. J.Med.Chem., 66, 2023
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8DC5
| CCHFV GP38 Hoti/Kosovo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, IODIDE ION | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | Deposit date: | 2022-06-15 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus. Nat Commun, 13, 2022
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8DCY
| CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab | Descriptor: | 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | Deposit date: | 2022-06-17 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus. Nat Commun, 13, 2022
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8DDK
| CCHFV GP38 Hoti/Kosovo bound with CC5_17 | Descriptor: | Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ... | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | Deposit date: | 2022-06-18 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.86 Å) | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus. Nat Commun, 13, 2022
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1U9Z
| Crystal Structure of Phosphoribosyl Diphosphate Synthase Complexed with AMP and Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, RIBOSE-5-PHOSPHATE, Ribose-phosphate pyrophosphokinase | Authors: | Kadziola, A, Johansson, E, Jepsen, C.H, McGuire, J, Larsen, S, Hove-Jensen, B. | Deposit date: | 2004-08-11 | Release date: | 2005-08-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel class III phosphoribosyl diphosphate synthase: structure and properties of the tetrameric, phosphate-activated, non-allosterically inhibited enzyme from Methanocaldococcus jannaschii J.Mol.Biol., 354, 2005
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1U9Y
| Crystal Structure of Phosphoribosyl Diphosphate Synthase from Methanocaldococcus jannaschii | Descriptor: | Ribose-phosphate pyrophosphokinase | Authors: | Kadziola, A, Johansson, E, Jepsen, C.H, McGuire, J, Larsen, S, Hove-Jensen, B. | Deposit date: | 2004-08-11 | Release date: | 2005-08-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel class III phosphoribosyl diphosphate synthase: structure and properties of the tetrameric, phosphate-activated, non-allosterically inhibited enzyme from Methanocaldococcus jannaschii J.Mol.Biol., 354, 2005
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6NEA
| Human Acetylcholinesterase in complex with reactivator, HLo7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D. | Deposit date: | 2018-12-17 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate. Acs Med.Chem.Lett., 10, 2019
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1E26
| Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. | Deposit date: | 2000-05-17 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+ Biochemistry, 38, 1999
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