6F9V
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6F0P
| Botulinum neurotoxin A4 Hc domain | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Davies, J.R, Rees, J, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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6F0O
| Botulinum neurotoxin A3 Hc domain | Descriptor: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | Authors: | Davies, J.R, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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6F9R
| Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. | Descriptor: | 1,2-ETHANEDIOL, 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: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2017-12-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
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6F9U
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6F9T
| Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2017-12-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
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6SVY
| Crystal structure of Neprilysin in complex with Sampatrilat-ASP. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, Sampatrilat-Asp, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2019-09-19 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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6SH1
| Crystal structure of substrate-free human neprilysin E584D. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | Authors: | Moss, S, Subramanian, V, Acharya, K.R. | Deposit date: | 2019-08-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of peptide-bound neprilysin reveals key binding interactions. Febs Lett., 594, 2020
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6SUK
| Crystal structure of Neprilysin in complex with Omapatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2019-09-15 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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6THY
| Botulinum neurotoxin A3 Hc domain in complex with GD1a | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BoNT/A3, ... | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M. | Deposit date: | 2019-11-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of botulinum neurotoxin subtype A3 cell binding domain in complex with GD1a co-receptor ganglioside. Febs Open Bio, 10, 2020
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6TT3
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6TT1
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6TT4
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6TWO
| Binding domain of BoNT/A6 | Descriptor: | Bont/A1, CHLORIDE ION | Authors: | Davies, J.R, Britton, A, Acharya, K.R. | Deposit date: | 2020-01-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6. Febs Open Bio, 10, 2020
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6TWP
| Binding domain of BoNT/A5 | Descriptor: | Botulinum neurotoxin A5, CHLORIDE ION | Authors: | Davies, J.R, Acharya, K.R. | Deposit date: | 2020-01-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6. Febs Open Bio, 10, 2020
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2PRI
| BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B | Descriptor: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R. | Deposit date: | 1998-12-11 | Release date: | 1998-12-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies. J.Mol.Biol., 254, 1995
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4CA6
| Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME N-DOMAIN, CHLORIDE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structures of highly specific phosphinic tripeptide enantiomers in complex with the angiotensin-I converting enzyme. FEBS J., 281, 2014
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4BXK
| Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Douglas, R.G, Sharma, R.K, Masuyer, G, Lubbe, L, Zamora, I, Acharya, K.R, Chibale, K, Sturrock, E.D. | Deposit date: | 2013-07-12 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Design for the Development of N-Domain Selective Angiotensin-1 Converting Enzyme Inhibitors Clin.Sci., 126, 2014
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4C2P
| Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with captopril | Descriptor: | ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4CA7
| Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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4C2N
| Crystal structure of human testis angiotensin-I converting enzyme mutant E403R | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4C2Q
| Crystal structure of human testis angiotensin-I converting enzyme mutant R522K | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4CA8
| Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, SULFATE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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4C2O
| Crystal structure of human testis angiotensin-I converting enzyme mutant D465T | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4CA5
| Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI | 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, ACETATE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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