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4HAA
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BU of 4haa by Molmil
Structure of Ribonuclease Binase Glu43Ala/Phe81Ala Mutant
Descriptor: Ribonuclease
Authors:Polyakov, K.M, Trofimov, A.A, Mitchevich, V.A, Dorovatovskii, P.V, Schulga, A.A, Makarov, A.A, Tkach, E.N, Goncharuk, D.A.
Deposit date:2012-09-26
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and functional studies of the ribonuclease binase Glu43Ala/Phe81Ala mutant.
Acta Crystallogr.,Sect.D, 69, 2013
1YNV
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BU of 1ynv by Molmil
Asp79 makes a large, unfavorable contribution to the stability of RNase Sa
Descriptor: Guanyl-specific ribonuclease Sa, SULFATE ION
Authors:Trevino, S.R, Gokulan, K, Newsom, S, Thurlkill, R.L, Shaw, K.L, Mitkevich, V.A, Makarov, A.A, Sacchettini, J.C, Scholtz, J.M, Pace, C.N.
Deposit date:2005-01-25
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Asp79 Makes a Large, Unfavorable Contribution to the Stability of RNase Sa.
J.Mol.Biol., 354, 2005
1KZN
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BU of 1kzn by Molmil
Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin
Descriptor: CLOROBIOCIN, DNA GYRASE SUBUNIT B
Authors:Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R.
Deposit date:2002-02-07
Release date:2002-06-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose.
Biochemistry, 41, 2002
2LI9
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BU of 2li9 by Molmil
Metal binding domain of rat beta-amyloid
Descriptor: Amyloid beta A4 protein, ZINC ION
Authors:Polshakov, V, Istrate, A, Kozin, S, Makarov, A.
Deposit date:2011-08-25
Release date:2012-01-18
Last modified:2012-03-21
Method:SOLUTION NMR
Cite:NMR solution structure of rat Abeta(1-16): toward understanding the mechanism of rats' resistance to Alzheimer's disease.
Biophys.J., 102, 2012
5LFY
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BU of 5lfy by Molmil
Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H
Descriptor: Amyloid beta A4 protein, ZINC ION
Authors:Polshakov, V.I, Mantsyzov, A.B, Kozin, S.A.
Deposit date:2016-07-05
Release date:2017-08-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Binuclear Zinc Interaction Fold Discovered in the Homodimer of Alzheimer's Amyloid-beta Fragment with Taiwanese Mutation D7H.
Angew. Chem. Int. Ed. Engl., 56, 2017
2XZA
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BU of 2xza by Molmil
Crystal Structure of recombinant A.17 antibody FAB fragment
Descriptor: FAB A.17 HEAVY CHAIN, FAB A.17 LIGHT CHAIN
Authors:Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A.
Deposit date:2010-11-24
Release date:2011-09-21
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
2XZC
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BU of 2xzc by Molmil
Crystal Structure of phosphonate-modified recombinant A.17 antibody FAB fragment
Descriptor: 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, CHLORIDE ION, FAB A.17 HEAVY CHAIN, ...
Authors:Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A.
Deposit date:2010-11-24
Release date:2011-09-21
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
6Y1L
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BU of 6y1l by Molmil
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
6Y49
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BU of 6y49 by Molmil
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
6Y1N
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BU of 6y1n by Molmil
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
6Y1K
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BU of 6y1k by Molmil
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
6Y1M
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BU of 6y1m by Molmil
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
2MGT
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BU of 2mgt by Molmil
Zinc induced dimer of the metal binding domain 1-16 of human amyloid beta-peptide with Alzheimer's disease pathogenic English mutation H6R
Descriptor: Amyloid beta A4 protein, ZINC ION
Authors:Polshakov, V, Istrate, A, Kozin, S.
Deposit date:2013-11-06
Release date:2014-11-12
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Interplay of histidine residues of the Alzheimer's disease A beta peptide governs its Zn-induced oligomerization.
Sci Rep, 6, 2016
7REP
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BU of 7rep by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (A1-Ac Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G acylase, phenylmethanesulfonic acid
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7REO
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BU of 7reo by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G Acylase
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
5TJD
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BU of 5tjd by Molmil
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:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 2020
3ZL4
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BU of 3zl4 by Molmil
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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