5HMH
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HMK
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HMI
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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4H1E
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7LEY
| Trimeric human Arginase 1 in complex with mAb5 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb5 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LEZ
| Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:2 mAb1 complex | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb1 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LEX
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7LF0
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7LF2
| Trimeric human Arginase 1 in complex with mAb4 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb4 monoclonal antibody heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LF1
| Trimeric human Arginase 1 in complex with mAb3 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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5HDX
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5HE4
| BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | Descriptor: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P. | Deposit date: | 2016-01-05 | Release date: | 2016-03-16 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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5HE5
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5HDV
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5HDZ
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5HE7
| BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | Descriptor: | (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1 | Authors: | Orth, P. | Deposit date: | 2016-01-05 | Release date: | 2016-03-16 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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5HD0
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5HDU
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2O8M
| Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | Descriptor: | Protease, SODIUM ION, ZINC ION | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | Deposit date: | 2006-12-12 | Release date: | 2007-10-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization J.Med.Chem., 50, 2007
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