5M6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6a by Molmil](/molmil-images/mine/5m6a) | Crystal structure of cardiotoxic Bence-Jones light chain dimer H9 | Descriptor: | Bence-Jones light chain, GLYCEROL, PHOSPHATE ION | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
5M76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m76 by Molmil](/molmil-images/mine/5m76) | Crystal structure of cardiotoxic Bence-Jones light chain dimer H10 | Descriptor: | BROMIDE ION, light chain dimer | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2016-10-26 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
8DOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8doa by Molmil](/molmil-images/mine/8doa) | |
1AZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1az6 by Molmil](/molmil-images/mine/1az6) | |
6R8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8r by Molmil](/molmil-images/mine/6r8r) | Structure of the Wnt deacylase Notum in complex with isoquinoline 45 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
|
|
6RQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rq1 by Molmil](/molmil-images/mine/6rq1) | CYP121 in complex with 2-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
|
|
6RQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rqb by Molmil](/molmil-images/mine/6rqb) | CYP121 in complex with 3-bromo dicyclotyrosine | Descriptor: | 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
|
|
6RQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rq3 by Molmil](/molmil-images/mine/6rq3) | CYP121 in complex with 2,6-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
|
|
5M6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6i by Molmil](/molmil-images/mine/5m6i) | Crystal structure of non-cardiotoxic Bence-Jones light chain dimer M8 | Descriptor: | SODIUM ION, light chain dimer | Authors: | Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2016-10-25 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
6R8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8q by Molmil](/molmil-images/mine/6r8q) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
|
|
5MUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5muh by Molmil](/molmil-images/mine/5muh) | Crystal structure of an amyloidogenic light chain dimer H7 | Descriptor: | light chain dimer | Authors: | Oberti, L, Rognoni, P, Russo, R, Maritan, M, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-13 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
5MVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mvg by Molmil](/molmil-images/mine/5mvg) | Crystal structure of non-amyloidogenic light chain dimer M7 | Descriptor: | GLYCEROL, light chain dimer | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
5MTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mtl by Molmil](/molmil-images/mine/5mtl) | Crystal structure of an amyloidogenic light chain | Descriptor: | light chain dimer,IGL@ protein,IGL@ protein | Authors: | Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-10 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
5MUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mud by Molmil](/molmil-images/mine/5mud) | Crystal structure of an amyloidogenic light chain dimer H6 | Descriptor: | light chain dimer,IGL@ protein | Authors: | Oberti, L, Bacarizo, J, Maritan, M, Rognoni, P, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-13 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
6HGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgx by Molmil](/molmil-images/mine/6hgx) | Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea | Descriptor: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | Deposit date: | 2018-08-23 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol. Acs Med.Chem.Lett., 10, 2019
|
|
4ZPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zpv by Molmil](/molmil-images/mine/4zpv) | Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
|
|
7SGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sgj by Molmil](/molmil-images/mine/7sgj) | |
7SGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sgi by Molmil](/molmil-images/mine/7sgi) | |
4ZPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zpw by Molmil](/molmil-images/mine/4zpw) | Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
|
|
7SGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sgg by Molmil](/molmil-images/mine/7sgg) | |
7SGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sgk by Molmil](/molmil-images/mine/7sgk) | |
5LLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lla by Molmil](/molmil-images/mine/5lla) | Crystal structure of human carbonic anhydrase isozyme XIII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, CITRIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
|
|
5LL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ll5 by Molmil](/molmil-images/mine/5ll5) | Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-26 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
|
|
6HGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgv by Molmil](/molmil-images/mine/6hgv) | Soluble epoxide hydrolase in complex with talinolol | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | Deposit date: | 2018-08-23 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol. Acs Med.Chem.Lett., 10, 2019
|
|
5LL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ll9 by Molmil](/molmil-images/mine/5ll9) | Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
|
|