5TJD
| Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds | Descriptor: | FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2016-10-04 | Release date: | 2018-05-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 2020
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3RBS
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6HCI
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5ADO
| Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - Light chain S35R mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | Deposit date: | 2015-08-21 | Release date: | 2016-11-09 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites. Sci.Adv., 2, 2016
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5ADP
| Crystal structure of the A.17 antibody FAB fragment - Light chain S35R mutant | Descriptor: | FAB A.17 | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | Deposit date: | 2015-08-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites. Sci.Adv., 2, 2016
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3ZL4
| Antibody structural organization: Role of kappa - lambda chain constant domain switch in catalytic functionality | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, A17 ANTIBODY FAB FRAGMENT HEAVY CHAIN, A17 ANTIBODY FAB FRAGMENT LAMBDA LIGHT CHAIN | Authors: | Chatziefthimiou, S.D, Ponomarenko, N.A, Kurkova, I.N, Smirnov, A.V, Smirnov, I.V, Lamzin, V.S, Gabibov, A.G, Wilmanns, M. | Deposit date: | 2013-01-28 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of Kappa>Lambda Light-Chain Constant-Domain Switch in the Structure and Functionality of A17 Reactibody Acta Crystallogr.,Sect.D, 70, 2014
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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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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: | 2024-10-23 | 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: | 2024-10-23 | 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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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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2Y25
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2Y23
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