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4L6B
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BU of 4l6b by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
4LAP
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BU of 4lap by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP114
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-20
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
7TOQ
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BU of 7toq by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein poly-PR
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
1XGK
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BU of 1xgk by Molmil
CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
Descriptor: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
Authors:Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-09-17
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
7TOO
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BU of 7too by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOP
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BU of 7top by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein PR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOS
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BU of 7tos by Molmil
E. coli 70S ribosomes bound with the ALS/FTD-associated dipeptide repeat protein PR20
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOR
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BU of 7tor by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
4R3R
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BU of 4r3r by Molmil
Crystal structures of EGFR in complex with Mig6
Descriptor: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1'
Authors:Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
Deposit date:2014-08-17
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
4R3P
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BU of 4r3p by Molmil
Crystal structures of EGFR in complex with Mig6
Descriptor: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1
Authors:Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
Deposit date:2014-08-17
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
4ZMS
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BU of 4zms by Molmil
Structure of the full-length response regulator spr1814 in complex with a phosphate analogue and B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Chi, Y.M, Park, A.
Deposit date:2015-05-04
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Biochem.Biophys.Res.Commun., 473, 2016
4ZMR
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BU of 4zmr by Molmil
Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator
Authors:Chi, Y.M, Park, A.
Deposit date:2015-05-04
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Biochem.Biophys.Res.Commun., 473, 2016
7TYD
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BU of 7tyd by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group
Descriptor: Binder, Fibroblast growth factor receptor 4
Authors:Park, J.S, Lee, S.
Deposit date:2022-02-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Isoform-specific inhibition of FGFR signaling achieved by a de-novo-designed mini-protein.
Cell Rep, 41, 2022
6X3I
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BU of 6x3i by Molmil
NNAS Fc mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose
Authors:Wei, R, Zhou, Y.F.
Deposit date:2020-05-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
6PDX
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BU of 6pdx by Molmil
Crystal structure of C585 Fab in complex with influenza virus hemagglutinin from A/Switzerland/9715293/2013 (H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C585 Fab heavy chain, ...
Authors:Qiu, Y, Zhou, Y.
Deposit date:2019-06-19
Release date:2019-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:Mapping of a Novel H3-Specific Broadly Neutralizing Monoclonal Antibody Targeting the Hemagglutinin Globular Head Isolated from an Elite Influenza Virus-Immunized Donor Exhibiting Serological Breadth.
J.Virol., 94, 2020
4KUP
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BU of 4kup by Molmil
Endothiapepsin in complex with 20mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2013-05-22
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.311 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4LBT
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BU of 4lbt by Molmil
Endothiapepsin in complex with 100mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Winquist, J, Klebe, G.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4LHH
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BU of 4lhh by Molmil
Endothiapepsin in complex with 2mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2013-07-01
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
6AMJ
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BU of 6amj by Molmil
CAT192 Fab Wild Type
Descriptor: CAT192 Fab heavy chain, CAT192 Fab light chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-08-09
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6AMM
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BU of 6amm by Molmil
CAT192 Fab Insertion Mutant H0/L1
Descriptor: CAT192 Fab Heavy chain, CAT192 Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-08-10
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6AO0
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BU of 6ao0 by Molmil
CAT192 Fab Insertion Mutant H2/L2
Descriptor: CAT192 Fab Heavy chain, CAT192 Fab Light chain, SULFATE ION
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-08-15
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6ANP
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BU of 6anp by Molmil
CAT192 Fab Insertion Mutant H5/L0
Descriptor: CAT192 Fab Heavy chain, CAT192 Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-08-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
5HCT
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BU of 5hct by Molmil
Endothiapepsin in complex with biacylhydrazone
Descriptor: 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-01-04
Release date:2016-07-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Angew.Chem.Int.Ed.Engl., 55, 2016
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ...
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.547 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
Descriptor: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020

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