4PBW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4pbw by Molmil](/molmil-images/mine/4pbw) | Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2014-04-14 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis. Nat Commun, 5, 2014
|
|
4PBV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4pbv by Molmil](/molmil-images/mine/4pbv) | Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ... | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2014-04-14 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis. Nat Commun, 5, 2014
|
|
4R7L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4r7l by Molmil](/molmil-images/mine/4r7l) | Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1 | Descriptor: | ACETATE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Ouyang, P, Cui, K, Lu, W, Huang, J. | Deposit date: | 2014-08-27 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Human Leukotriene A4 Hydrolase in complex with SAHA To be Published
|
|
1CT4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ct4 by Molmil](/molmil-images/mine/1ct4) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
|
|
1CSO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1cso by Molmil](/molmil-images/mine/1cso) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
|
|
1CT0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ct0 by Molmil](/molmil-images/mine/1ct0) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
|
|
1CT2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ct2 by Molmil](/molmil-images/mine/1ct2) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
|
|
1DS3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ds3 by Molmil](/molmil-images/mine/1ds3) | CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I | Descriptor: | OVOMUCOID | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 2000-01-06 | Release date: | 2001-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I J.Mol.Biol., 305, 2001
|
|
1DS2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ds2 by Molmil](/molmil-images/mine/1ds2) | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 2000-01-06 | Release date: | 2001-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I J.Mol.Biol., 305, 2001
|
|
3QTE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3qte by Molmil](/molmil-images/mine/3qte) | |
4M0I
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4m0i by Molmil](/molmil-images/mine/4m0i) | |
4FC4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4fc4 by Molmil](/molmil-images/mine/4fc4) | FNT family ion channel | Descriptor: | Nitrite transporter NirC, octyl beta-D-glucopyranoside | Authors: | Lue, W, Schwarzer, N, Du, J, Gerbig-Smentek, E, Andrade, S.L.A, Einsle, O. | Deposit date: | 2012-05-24 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of the nitrite channel NirC from Salmonella typhimurium. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7N8T
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7n8t by Molmil](/molmil-images/mine/7n8t) | Crystal Structure of AMP-bound Human JNK2 | Descriptor: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2021-06-15 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
|
|
8ELC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8elc by Molmil](/molmil-images/mine/8elc) | Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
|
|
3Q7K
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3q7k by Molmil](/molmil-images/mine/3q7k) | Formate Channel FocA from Salmonella typhimurium | Descriptor: | FORMIC ACID, Probable formate transporter | Authors: | Lue, W, Du, J, Wacker, T, Gerbig-Smentek, E, Andrade, S.L.A, Einsle, O. | Deposit date: | 2011-01-05 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | pH-dependent gating in a FocA formate channel Science, 332, 2011
|
|
6WYS
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6wys by Molmil](/molmil-images/mine/6wys) | Lon protease proteolytic domain | Descriptor: | Lon protease homolog, mitochondrial, SULFATE ION | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2020-05-13 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
|
|
6WZV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6wzv by Molmil](/molmil-images/mine/6wzv) | Lon protease proteolytic domain | Descriptor: | Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ... | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2020-05-14 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
|
|
6X27
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6x27 by Molmil](/molmil-images/mine/6x27) | |
6X1M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6x1m by Molmil](/molmil-images/mine/6x1m) | |
4FNV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4fnv by Molmil](/molmil-images/mine/4fnv) | Crystal Structure of Heparinase III | Descriptor: | Heparinase III protein, heparitin sulfate lyase | Authors: | Dong, W, Ye, S. | Deposit date: | 2012-06-20 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of heparan sulfate-specific degradation by heparinase III. Protein Cell, 3, 2012
|
|
6DMM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6dmm by Molmil](/molmil-images/mine/6dmm) | Crystal structure of the G23A mutant of human alpha defensin HNP4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-06-05 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019
|
|
5FED
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/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](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/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
|
|
2ZJM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2zjm by Molmil](/molmil-images/mine/2zjm) | |
2ZJI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2zji by Molmil](/molmil-images/mine/2zji) | |