8SVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sve by Molmil](/molmil-images/mine/8sve) | |
1PTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ptz by Molmil](/molmil-images/mine/1ptz) | 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: | 2021-10-27 | 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
|
|
1PU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pu0 by Molmil](/molmil-images/mine/1pu0) | 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: | 2023-08-16 | 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
|
|
2AQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqt by Molmil](/molmil-images/mine/2aqt) | 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: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant To be Published
|
|
2AQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqp by Molmil](/molmil-images/mine/2aqp) | 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: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant To be Published
|
|
2AQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqn by Molmil](/molmil-images/mine/2aqn) | 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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis To be Published
|
|
2AQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqr by Molmil](/molmil-images/mine/2aqr) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqq by Molmil](/molmil-images/mine/2aqq) | 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
|
|
2AQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqs by Molmil](/molmil-images/mine/2aqs) | 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
|
|
6UIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uip by Molmil](/molmil-images/mine/6uip) | 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: | 2023-11-15 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5feq by Molmil](/molmil-images/mine/5feq) | 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
|
|
5FED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fed by Molmil](/molmil-images/mine/5fed) | 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: | 2023-09-27 | 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
|
|
5FEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fee by Molmil](/molmil-images/mine/5fee) | 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
|
|
6BI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bi2 by Molmil](/molmil-images/mine/6bi2) | |
6BHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bhz by Molmil](/molmil-images/mine/6bhz) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bi0 by Molmil](/molmil-images/mine/6bi0) | 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
|
|
4L05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l05 by Molmil](/molmil-images/mine/4l05) | 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: | 2023-09-20 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f7l by Molmil](/molmil-images/mine/3f7l) | 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: | 2023-09-06 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f7k by Molmil](/molmil-images/mine/3f7k) | 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: | 2023-12-27 | 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
|
|
1N18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n18 by Molmil](/molmil-images/mine/1n18) | 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
|
|
1N19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n19 by Molmil](/molmil-images/mine/1n19) | 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
|
|
1Z9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z9f by Molmil](/molmil-images/mine/1z9f) | |
1VR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vr0 by Molmil](/molmil-images/mine/1vr0) | |
5D41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d41 by Molmil](/molmil-images/mine/5d41) | EGFR kinase domain in complex with mutant selective allosteric inhibitor | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Yun, C.-H, Park, E, Eck, M.J. | Deposit date: | 2015-08-07 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors. Nature, 534, 2016
|
|
2FNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fno by Molmil](/molmil-images/mine/2fno) | |