5I5B
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![BU of 5i5b by Molmil](/molmil-images/mine/5i5b) | quasi racemic structure of allo-Thr13-ShK and D-ShK | Descriptor: | D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ... | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | Deposit date: | 2016-02-15 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin. Angew. Chem. Int. Ed. Engl., 56, 2017
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5I5C
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![BU of 5i5c by Molmil](/molmil-images/mine/5i5c) | X-ray crystal structure of allo-Thr31-ShK | Descriptor: | GLYCEROL, Kappa-stichotoxin-She3a, LITHIUM ION, ... | Authors: | Dang, B, Kubota, T, Manda, K.l, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | Deposit date: | 2016-02-15 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin. Angew. Chem. Int. Ed. Engl., 56, 2017
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4GCP
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![BU of 4gcp by Molmil](/molmil-images/mine/4gcp) | |
4GCS
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![BU of 4gcs by Molmil](/molmil-images/mine/4gcs) | Crystal Structure of E. coli OmpF porin in complex with Ertapenem | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Outer membrane protein F | Authors: | Ziervogel, B.K, Roux, B. | Deposit date: | 2012-07-30 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Binding of Antibiotics in OmpF Porin. Structure, 21, 2013
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2HJF
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![BU of 2hjf by Molmil](/molmil-images/mine/2hjf) | Potassium channel kcsa-fab complex with tetrabutylammonium (TBA) | Descriptor: | Antibody fragment Heavy chain, Antibody fragment Light chain, POTASSIUM ION, ... | Authors: | Faraldo-Gomez, J.D, Kutluay, E, Jogini, V, Zhao, Y, Heginbotham, L, Roux, B. | Deposit date: | 2006-06-30 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of Intracellular Block of the KcsA K(+) Channel by Tetrabutylammonium: Insights from X-ray Crystallography, Electrophysiology and Replica-exchange Molecular Dynamics Simulations. J.Mol.Biol., 365, 2007
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1MAG
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![BU of 1mag by Molmil](/molmil-images/mine/1mag) | |
2P7T
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![BU of 2p7t by Molmil](/molmil-images/mine/2p7t) | Crystal Structure of KcsA mutant | Descriptor: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB-A, FAB-B, ... | Authors: | Cordero-Morales, J.F, Vishwanath, J, Lewis, A, Valeria, V.R, Cortes, D.M, Roux, B, Perozo, E. | Deposit date: | 2007-03-20 | Release date: | 2007-10-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of KcsA mutant To be Published
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5I5A
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![BU of 5i5a by Molmil](/molmil-images/mine/5i5a) | quasi racemic structure of allo-Ile7-ShK and D-ShK | Descriptor: | D-MALATE, D-ShK, GLYCEROL, ... | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | Deposit date: | 2016-02-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin. Angew. Chem. Int. Ed. Engl., 56, 2017
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3FB7
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![BU of 3fb7 by Molmil](/molmil-images/mine/3fb7) | Open KcsA potassium channel in the presence of Rb+ ion | Descriptor: | RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | Authors: | Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E. | Deposit date: | 2008-11-18 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Open KcsA potassium channel in the presence of Rb+ ion TO BE PUBLISHED
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1ZWI
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![BU of 1zwi by Molmil](/molmil-images/mine/1zwi) | Structure of mutant KcsA potassium channel | Descriptor: | DIACYL GLYCEROL, NONAN-1-OL, POTASSIUM ION, ... | Authors: | Cordero-Morales, J.F, Cuello, L.G, Zhao, Y, Jogini, V, Cortes, D.M, Roux, B, Perozo, E. | Deposit date: | 2005-06-03 | Release date: | 2006-03-07 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular determinants of gating at the potassium-channel selectivity filter. Nat.Struct.Mol.Biol., 13, 2006
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2ATK
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![BU of 2atk by Molmil](/molmil-images/mine/2atk) | Structure of a mutant KcsA K+ channel | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, NONAN-1-OL, ... | Authors: | Cordero-Morales, J.F, Cuello, L.G, Zhao, Y, Jogini, V, Chakrapani, S, Roux, B, Perozo, E. | Deposit date: | 2005-08-25 | Release date: | 2006-03-07 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular determinants of gating at the potassium-channel selectivity filter. Nat.Struct.Mol.Biol., 13, 2006
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5CBH
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![BU of 5cbh by Molmil](/molmil-images/mine/5cbh) | Structural and Functional Characterization of a Calcium-activated Cation channel from Tsukamurella Paurometabola | Descriptor: | CALCIUM ION, Ion transport 2 domain protein | Authors: | Dhakshnamoorthy, B, Rohaim, A, Rui, H, Blachowicz, L, Roux, B. | Deposit date: | 2015-06-30 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola. Nat Commun, 7, 2016
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5CBF
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![BU of 5cbf by Molmil](/molmil-images/mine/5cbf) | Structural and Functional Characterization of a Calcium-activated Cation channel from Tsukamurella Paurometabola | Descriptor: | CALCIUM ION, Ion transport 2 domain protein | Authors: | Dhakshnamoorthy, B, Rohaim, A, Rui, H, Blachowicz, L, Roux, B. | Deposit date: | 2015-06-30 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola. Nat Commun, 7, 2016
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5CBG
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![BU of 5cbg by Molmil](/molmil-images/mine/5cbg) | Calcium activated non-selective cation channel | Descriptor: | CALCIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Ion transport 2 domain protein | Authors: | Dhakshnamoorthy, B, Rohaim, A, Rui, H, Blachowicz, L, Roux, B. | Deposit date: | 2015-06-30 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola. Nat Commun, 7, 2016
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3OR7
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![BU of 3or7 by Molmil](/molmil-images/mine/3or7) | On the structural basis of modal gating behavior in K+channels - E71I | Descriptor: | POTASSIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | Authors: | Chakrapani, S, Cordero-Morales, J.F, Jogini, V, Pan, A.C, Cortes, D.M, Roux, B, Perozo, E. | Deposit date: | 2010-09-06 | Release date: | 2011-01-05 | Last modified: | 2018-08-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the structural basis of modal gating behavior in K(+) channels. Nat.Struct.Mol.Biol., 18, 2011
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3HW9
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![BU of 3hw9 by Molmil](/molmil-images/mine/3hw9) | Cation selective pathway of OmpF porin revealed by anomalous x-ray diffraction | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Outer membrane protein F, ... | Authors: | Balasundaresan, D, Raychaudhury, S, Blachowicz, L, Roux, B. | Deposit date: | 2009-06-17 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffraction. J.Mol.Biol., 396, 2010
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3HWB
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![BU of 3hwb by Molmil](/molmil-images/mine/3hwb) | Cation selective pathway of OmpF porin revealed by anomalous diffraction | Descriptor: | HEXAETHYLENE GLYCOL, Outer membrane protein F, RUBIDIUM ION | Authors: | Balasundaresan, D, Raychaudhury, S, Blachowicz, L, Roux, B. | Deposit date: | 2009-06-17 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffraction. J.Mol.Biol., 396, 2010
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4LSI
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![BU of 4lsi by Molmil](/molmil-images/mine/4lsi) | Ion selectivity of OmpF porin soaked in 0.3M KBr | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | Deposit date: | 2013-07-22 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations. J.Am.Chem.Soc., 135, 2013
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4LSE
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![BU of 4lse by Molmil](/molmil-images/mine/4lse) | Ion selectivity of OmpF porin soaked in 0.2M NaBr | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | Deposit date: | 2013-07-22 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations. J.Am.Chem.Soc., 135, 2013
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4LSH
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![BU of 4lsh by Molmil](/molmil-images/mine/4lsh) | |
4LSF
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![BU of 4lsf by Molmil](/molmil-images/mine/4lsf) | Ion selectivity of OmpF soaked in 0.1M KBr | Descriptor: | BROMIDE ION, GLYCEROL, Outer membrane protein F | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | Deposit date: | 2013-07-22 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations. J.Am.Chem.Soc., 135, 2013
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7MHX
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![BU of 7mhx by Molmil](/molmil-images/mine/7mhx) | KcsA E71V closed gate with Ba2+ | Descriptor: | BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MUB
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![BU of 7mub by Molmil](/molmil-images/mine/7mub) | KcsA Open gate E71V mutant in Potassium | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-05-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MHR
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![BU of 7mhr by Molmil](/molmil-images/mine/7mhr) | KcsA E71V closed gate with K+ | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MJT
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![BU of 7mjt by Molmil](/molmil-images/mine/7mjt) | KcsA open gate E71V mutant with Barium | Descriptor: | BARIUM ION, Fab heavy chain, Fab light chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-20 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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