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PDB: 21 results

8SVE
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BU of 8sve by Molmil
Structure of Monomeric Interleukin-10 Grafted into and Antibody CDR
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fab Heavy chain, ...
Authors:DiDonato, M, Spraggon, G.
Deposit date:2023-05-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel Interleukin-10 Antibody Graft to Treat Inflammatory Bowel Disease.
To Be Published
2AQP
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BU of 2aqp by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant
Descriptor: 1,2-ETHANEDIOL, COPPER (I) ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant
To be Published
2AQN
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BU of 2aqn by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis
Descriptor: COPPER (I) ION, COPPER (II) ION, SULFATE ION, ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis
To be Published
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
5FEQ
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BU of 5feq by Molmil
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
Descriptor: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-17
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
Descriptor: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
Descriptor: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
6BHZ
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BU of 6bhz by Molmil
Trastuzumab Fab D185A (Light Chain) Mutant.
Descriptor: 1,2-ETHANEDIOL, Trastuzumab Anti-HER2 Fab Heavy Chain, Trastuzumab Anti-HER2 Fab Light Chain D185A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
6BI0
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BU of 6bi0 by Molmil
Trastuzumab Fab N158A, D185A, K190A (Light Chain) Triple Mutant.
Descriptor: 1,2-ETHANEDIOL, Trastuzumab anti-HER2 Fab Heavy Chain, Trastuzumab anti-HER2 Fab Light Chain
Authors:DiDonato, M, Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
6BI2
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BU of 6bi2 by Molmil
Trastuzumab Fab D185A (Light Chain) Mutant Biotin Conjugation.
Descriptor: 1,2-ETHANEDIOL, BIOTIN, Trastuzumab Anti-HER2 Fab Heavy Chain, ...
Authors:DiDonato, M, Spraggon, G.
Deposit date:2017-10-31
Release date:2018-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
2AQR
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BU of 2aqr by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant
Descriptor: COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant
To be Published
2AQQ
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CU/ZN superoxid dismutate from neisseria meningitidis K91E mutant
Descriptor: COPPER (I) ION, COPPER (II) ION, SULFATE ION, ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:CU/ZN superoxid dismutate from neisseria meningitidis K91E mutant
To be Published
2AQT
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BU of 2aqt by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
Descriptor: COPPER (I) ION, COPPER (II) ION, SULFATE ION, ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
To be Published
2AQS
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BU of 2aqs by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
Descriptor: COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
To be Published
1PU0
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BU of 1pu0 by Molmil
Structure of Human Cu,Zn Superoxide Dismutase
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
1PTZ
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BU of 1ptz by Molmil
Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
4L05
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BU of 4l05 by Molmil
Cu/Zn superoxide dismutase from Brucella abortus
Descriptor: COPPER (I) ION, COPPER (II) ION, GLYCEROL, ...
Authors:Shin, D.S, Didonato, M, Pratt, A.J, Bruns, C.K, Cabelli, D.E, Kroll, J.S, Belzer, C.A, Tabatabai, L.B, Tainer, J.A, Getzoff, E.D.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.098 Å)
Cite:Structural, Functional, and Immunogenic Insights on Cu,Zn Superoxide Dismutase Pathogenic Virulence Factors from Neisseria meningitidis and Brucella abortus.
J.Bacteriol., 197, 2015
3F7L
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BU of 3f7l by Molmil
X-ray Crystal Structure of Alvinella pompejana Cu,Zn Superoxide Dismutase
Descriptor: ACETIC ACID, COPPER (I) ION, COPPER (II) ION, ...
Authors:Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A.
Deposit date:2008-11-09
Release date:2009-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
3F7K
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BU of 3f7k by Molmil
X-ray Crystal Structure of an Alvinella pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex
Descriptor: COPPER (I) ION, COPPER (II) ION, Copper,Zinc Superoxide Dismutase, ...
Authors:Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A.
Deposit date:2008-11-09
Release date:2009-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
1N19
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BU of 1n19 by Molmil
Structure of the HSOD A4V mutant
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide Dismutase [Cu-Zn], ...
Authors:Cardoso, R.M.F, Thayer, M.M, DiDonato, M, Lo, T.P, Bruns, C.K, Getzoff, E.D, Tainer, J.A.
Deposit date:2002-10-16
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Insights into Lou Gehrig's disease from the structure and instability of the A4V mutant of human Cu,Zn superoxide dismutase.
J.Mol.Biol., 324, 2002
1N18
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BU of 1n18 by Molmil
Thermostable mutant of Human Superoxide Dismutase, C6A, C111S
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Cardoso, R.M.F, Thayer, M.M, DiDonato, M, Lo, T.P, Bruns, C.K, Getzoff, E.D, Tainer, J.A.
Deposit date:2002-10-16
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into Lou Gehrig's disease from the structure and instability of the A4V mutant of human Cu,Zn superoxide dismutase.
J.Mol.Biol., 324, 2002

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