5UG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ug5 by Molmil](/molmil-images/mine/5ug5) | NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y | Descriptor: | Alpha-conotoxin GID | Authors: | Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | Deposit date: | 2017-01-06 | Release date: | 2017-09-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5UG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ug3 by Molmil](/molmil-images/mine/5ug3) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | Descriptor: | Alpha-conotoxin GID | Authors: | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | Deposit date: | 2017-01-06 | Release date: | 2017-09-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7L83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l83 by Molmil](/molmil-images/mine/7l83) | NMR solution structure of Nav1.5 DIV S3b-S4a paddle motif in DPC micelle | Descriptor: | Sodium channel protein type 5 subunit alpha | Authors: | Hussein, A.K, Bhuiyan, M.H, Arshava, B, Zhuang, J, Poget, S.F. | Deposit date: | 2020-12-30 | Release date: | 2021-06-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure and analysis of isolated S3b-S4a motif of repeat IV of the human cardiac sodium channel Biorxiv, 2021
|
|
6F2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f2n by Molmil](/molmil-images/mine/6f2n) | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | Descriptor: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | Deposit date: | 2017-11-24 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
4UDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udd by Molmil](/molmil-images/mine/4udd) | GR in complex with desisobutyrylciclesonide | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | Deposit date: | 2014-12-09 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
|
|
4UDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udb by Molmil](/molmil-images/mine/4udb) | MR in complex with desisobutyrylciclesonide | Descriptor: | DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V. | Deposit date: | 2014-12-09 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
|
|
4UDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udc by Molmil](/molmil-images/mine/4udc) | GR in complex with dexamethasone | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ... | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | Deposit date: | 2014-12-09 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
|
|
4UDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uda by Molmil](/molmil-images/mine/4uda) | MR in complex with dexamethasone | Descriptor: | DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ... | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | Deposit date: | 2014-12-09 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
|
|
8F6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6h by Molmil](/molmil-images/mine/8f6h) | |
8F6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6e by Molmil](/molmil-images/mine/8f6e) | |
8F6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6k by Molmil](/molmil-images/mine/8f6k) | |
8F6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6j by Molmil](/molmil-images/mine/8f6j) | |
8F6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6i by Molmil](/molmil-images/mine/8f6i) | |
8F6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6f by Molmil](/molmil-images/mine/8f6f) | |
6EUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
6EWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|