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5DK2
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BU of 5dk2 by Molmil
Fc Heterodimer E356K/D399K + K392D/K409D
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJZ
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BU of 5djz by Molmil
Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVN
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BU of 5dvn by Molmil
Fc K392D/K409D homodimer
Descriptor: Fc-III peptide, Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DK0
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BU of 5dk0 by Molmil
Fc Heterodimer Design 20.8.34 Y349S/T366M/K370Y/K409V + E356G/E357D/S364Q/Y407A
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVL
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BU of 5dvl by Molmil
Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJY
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BU of 5djy by Molmil
Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVO
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BU of 5dvo by Molmil
Fc K392D/K409D homodimer
Descriptor: Ig gamma-1 chain C region, SULFATE ION
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVK
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BU of 5dvk by Molmil
Fc Design 7.7 B chain homodimer T366V/K409I
Descriptor: Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVM
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BU of 5dvm by Molmil
Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A
Descriptor: Fc-III peptide, Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
1VJQ
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BU of 1vjq by Molmil
Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
Descriptor: designed protein
Authors:Merritt, E.A, Baker, D, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2004-03-19
Release date:2004-03-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
To be Published
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
Descriptor: Engineered antibody heavy chain, Engineered antibody light chain
Authors:Zhang, Y, Li, W, Marshall, N.
Deposit date:2019-06-05
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
5JG6
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BU of 5jg6 by Molmil
APC11-Ubv shows role of noncovalent RING-Ubiquitin interactions in processive multiubiquitination and Ubiquitin chain elongation by APC/C
Descriptor: Anaphase-promoting complex subunit 11, Polyubiquitin-B, ZINC ION
Authors:Brown, N.G, Zhang, W, Yu, S, Miller, D.J, Sidhu, S.S, Schulman, B.A.
Deposit date:2016-04-19
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0013 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
5OD1
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BU of 5od1 by Molmil
Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue
Descriptor: GLYCEROL, MID1sc10, ZINC ION, ...
Authors:Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D.
Deposit date:2017-07-04
Release date:2018-12-12
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
5OD9
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BU of 5od9 by Molmil
Structure of the engineered metalloesterase MID1sc9
Descriptor: (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Studer, S, Mittl, P.R.E, Hilvert, D.
Deposit date:2017-07-05
Release date:2018-12-12
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
7UD6
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BU of 7ud6 by Molmil
Designed Enzyme SH3-588 (Catechol O-methyltransferase catalytic domain and Src homology 3 binding domain fusion)
Descriptor: POTASSIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, Tyrosine-protein kinase Fyn,Catechol O-methyltransferase
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-03-18
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Designer installation of a substrate recruitment domain to tailor enzyme specificity.
Nat.Chem.Biol., 19, 2023
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
Descriptor: DESIGNED PROTEIN
Authors:Reichow, S.
Deposit date:2006-03-30
Release date:2007-01-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
2GJH
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BU of 2gjh by Molmil
NMR Structure of CFr (C-terminal fragment of computationally designed novel-topology protein Top7)
Descriptor: DESIGNED PROTEIN
Authors:Dantas, G.
Deposit date:2006-03-30
Release date:2006-10-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Mis-translation of a Computationally Designed Protein Yields an Exceptionally Stable Homodimer: Implications for Protein Engineering and Evolution.
J.Mol.Biol., 362, 2006
3HNI
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BU of 3hni by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-1
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
Authors:Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
Deposit date:2009-05-31
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HNK
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BU of 3hnk by Molmil
Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
Authors:Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
Deposit date:2009-05-31
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HNJ
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BU of 3hnj by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
Authors:Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
Deposit date:2009-05-31
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HNL
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BU of 3hnl by Molmil
Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1
Descriptor: CHLORIDE ION, COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
Deposit date:2009-05-31
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-09-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
5L9T
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BU of 5l9t by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-10-26
Last modified:2016-11-02
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
5VSI
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BU of 5vsi by Molmil
CH1/Ckappa Fab mutant 15.1
Descriptor: 1,2-ETHANEDIOL, CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain, ...
Authors:Hendle, J.
Deposit date:2017-05-11
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017

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