7FF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ff0 by Molmil](/molmil-images/mine/7ff0) | |
7FF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ff6 by Molmil](/molmil-images/mine/7ff6) | The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with cis-vaccenic acid | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-07-22 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with cis-vaccenic acid To Be Published
|
|
7FF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ff8 by Molmil](/molmil-images/mine/7ff8) | |
7P8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8e by Molmil](/molmil-images/mine/7p8e) | Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1 | Descriptor: | CALCIUM ION, Receiver domain of histidine kinase | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7P8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8d by Molmil](/molmil-images/mine/7p8d) | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with Mg2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7P8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8c by Molmil](/molmil-images/mine/7p8c) | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with K+ | Descriptor: | POTASSIUM ION, Receiver domain of histidine kinase 4 | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7RJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rji by Molmil](/molmil-images/mine/7rji) | BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid | Descriptor: | BthTX-IIb, SODIUM ION, STEARIC ACID, ... | Authors: | Borges, R.J, Fontes, M.R.M. | Deposit date: | 2021-07-21 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
|
|
7RJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rjz by Molmil](/molmil-images/mine/7rjz) | |
7FEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7feu by Molmil](/molmil-images/mine/7feu) | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorononanoic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-07-21 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorononanoic acid To Be Published
|
|
7FEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fek by Molmil](/molmil-images/mine/7fek) | The 1.05 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorooctanoic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-07-21 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The 1.05 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorooctanoic acid To Be Published
|
|
7RJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rj9 by Molmil](/molmil-images/mine/7rj9) | |
7RJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rjd by Molmil](/molmil-images/mine/7rjd) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in c position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
|
|
7RJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rja by Molmil](/molmil-images/mine/7rja) | |
7RJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rje by Molmil](/molmil-images/mine/7rje) | Complex III2 from Candida albicans, Inz-5 bound | Descriptor: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole, Cytochrome b, Cytochrome b-c1 complex subunit 2, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
|
|
7RJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rjc by Molmil](/molmil-images/mine/7rjc) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in intermediate position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
|
|
7RJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rjb by Molmil](/molmil-images/mine/7rjb) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in b position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
|
|
7RIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rit by Molmil](/molmil-images/mine/7rit) | Drug-free A. baumannii MsbA | Descriptor: | ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-07-20 | Release date: | 2021-10-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
|
|
5SB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sb8 by Molmil](/molmil-images/mine/5sb8) | Tubulin-maytansinoid-3-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sbd by Molmil](/molmil-images/mine/5sbd) | Tubulin-maytansinoid-5b-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sba by Molmil](/molmil-images/mine/5sba) | Tubulin-maytansinoid-4b-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sbe by Molmil](/molmil-images/mine/5sbe) | Tubulin-maytansinoid-5c-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sbb by Molmil](/molmil-images/mine/5sbb) | Tubulin-maytansinoid-4c-complex | Descriptor: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sbc by Molmil](/molmil-images/mine/5sbc) | Tubulin-maytansinoid-5a-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
5SB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sb9 by Molmil](/molmil-images/mine/5sb9) | Tubulin-maytansinoid-4a-complex | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | Deposit date: | 2021-07-20 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders. Chemistry, 28, 2022
|
|
7RJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rj8 by Molmil](/molmil-images/mine/7rj8) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Pokross, M, Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
|
|