8F0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0p by Molmil](/molmil-images/mine/8f0p) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
|
|
8F0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0s by Molmil](/molmil-images/mine/8f0s) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
|
|
8F0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0r by Molmil](/molmil-images/mine/8f0r) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
|
|
7X22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x22 by Molmil](/molmil-images/mine/7x22) | Cryo-EM structure of non gastric H,K-ATPase alpha2 K794S in (2K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Nakanishi, H, Abe, K. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
7X20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x20 by Molmil](/molmil-images/mine/7x20) | |
7X24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x24 by Molmil](/molmil-images/mine/7x24) | Cryo-EM structure of non gastric H,K-ATPase alpha2 SPWC mutant in (2K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Nakanishi, H, Young, V, Artigas, P. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
7X21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x21 by Molmil](/molmil-images/mine/7x21) | Cryo-EM structure of non gastric H,K-ATPase alpha2 K794A in (K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Nakanishi, H, Abe, K. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
8GZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gz2 by Molmil](/molmil-images/mine/8gz2) | Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin | Descriptor: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ... | Authors: | Li, Y, Jiang, D. | Deposit date: | 2022-09-24 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin. Nat Commun, 14, 2023
|
|
8J4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j4f by Molmil](/molmil-images/mine/8j4f) | Structure of human Nav1.7 in complex with Hardwickii acid | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-04-19 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
8S9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9b by Molmil](/molmil-images/mine/8s9b) | Cryo-EM structure of Nav1.7 with LCM | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-03-27 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
8S9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9c by Molmil](/molmil-images/mine/8s9c) | Cryo-EM structure of Nav1.7 with CBZ | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-03-27 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
6NT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nt4 by Molmil](/molmil-images/mine/6nt4) | Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2. | Descriptor: | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Clairfeuille, T, Rohou, A, Payandeh, J. | Deposit date: | 2019-01-28 | Release date: | 2019-02-20 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of alpha-scorpion toxin action on Na v channels. Science, 363, 2019
|
|
8I5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i5b by Molmil](/molmil-images/mine/8i5b) | Structure of human Nav1.7 in complex with bupivacaine | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-24 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
8I5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i5x by Molmil](/molmil-images/mine/8i5x) | Structure of human Nav1.7 in complex with Vinpocetine | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-26 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
2OD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2od3 by Molmil](/molmil-images/mine/2od3) | Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | Authors: | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | Deposit date: | 2006-12-21 | Release date: | 2007-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
|
|
6PZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pze by Molmil](/molmil-images/mine/6pze) | |
6PZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzf by Molmil](/molmil-images/mine/6pzf) | |
8V9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v9g by Molmil](/molmil-images/mine/8v9g) | GES-5-meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
|
|
3E89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e89 by Molmil](/molmil-images/mine/3e89) | |
3E8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e8g by Molmil](/molmil-images/mine/3e8g) | |
8FHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fhn by Molmil](/molmil-images/mine/8fhn) | Cryo-EM structure of human NCC (class 2) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | Authors: | Zhang, J, Fan, M, Feng, L. | Deposit date: | 2022-12-14 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter. Nature, 614, 2023
|
|
3K08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k08 by Molmil](/molmil-images/mine/3k08) | Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
2KXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kxw by Molmil](/molmil-images/mine/2kxw) | |
6NUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nuu by Molmil](/molmil-images/mine/6nuu) | Structure of Calcineurin mutant in complex with NHE1 peptide | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, X, Page, R, Peti, W. | Deposit date: | 2019-02-02 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin. Nat Commun, 10, 2019
|
|
2ON5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2on5 by Molmil](/molmil-images/mine/2on5) | Structure of NaGST-2 | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Na Glutathione S-transferase 2 | Authors: | Asojo, O.A, Ngamelue, M, Homma, H, Goud, G, Zhan, B, Hotez, P.J. | Deposit date: | 2007-01-23 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of Na-GST-1 and Na-GST-2 two glutathione s-transferase from the human hookworm Necator americanus Bmc Struct.Biol., 7, 2007
|
|