6Y1L
| Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y49
| Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-19 | Release date: | 2020-09-16 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1N
| Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1K
| Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | Descriptor: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1M
| Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6NHQ
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6NHR
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6NHP
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6O9R
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6V1Z
| genome-containing AAVrh.39 particles | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Capsid protein VP1 | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-21 | Release date: | 2019-12-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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6V12
| Empty AAV8 particles | Descriptor: | Capsid protein | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-19 | Release date: | 2019-12-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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6V10
| genome-containing AAV8 particles | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Capsid protein | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-19 | Release date: | 2019-12-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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6V1G
| Genome-containing AAVrh.10 | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Capsid protein VP1 | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-20 | Release date: | 2019-12-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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6V1T
| Empty AAVrh.39 particle | Descriptor: | Capsid protein VP1 | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-21 | Release date: | 2019-12-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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7JTM
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST | Descriptor: | Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J.S. | Deposit date: | 2020-08-18 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020
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4GWG
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4GPI
| Crystal structure of human B type phosphoglycerate mutase | Descriptor: | CHLORIDE ION, Phosphoglycerate mutase 1 | Authors: | Zhou, L, He, C. | Deposit date: | 2012-08-21 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0817 Å) | Cite: | Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation. Nat Commun, 4, 2013
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4GPZ
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4GWK
| Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ... | Authors: | He, C, Zhou, L, Zhang, L. | Deposit date: | 2012-09-03 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth. Cancer Cell, 22, 2012
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7E39
| SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ... | Authors: | Liu, C. | Deposit date: | 2021-02-08 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants. Cell Discov, 7, 2021
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7E3B
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7E3C
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5Z9R
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5UBR
| CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | Descriptor: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Sack, J.S. | Deposit date: | 2016-12-21 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UBT
| CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | Descriptor: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2016-12-21 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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