8BHS
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![BU of 8bhs by Molmil](/molmil-images/mine/8bhs) | GABA-A receptor a5 homomer - a5V3 - RO4938581 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHA
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![BU of 8bha by Molmil](/molmil-images/mine/8bha) | GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Basmisanil, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Malinauskas, T.M, Wahid, A.A, Hardwick, S.W, Chirgadze, D.Y, Miller, P.S. | Deposit date: | 2022-10-30 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHR
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![BU of 8bhr by Molmil](/molmil-images/mine/8bhr) | GABA-A receptor a5 homomer - a5V3 - RO7015738 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BGI
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![BU of 8bgi by Molmil](/molmil-images/mine/8bgi) | GABA-A receptor a5 homomer - a5V1 - Flumazenil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, Pregnanolone, ... | Authors: | Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R. | Deposit date: | 2022-10-27 | Release date: | 2023-11-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8SXX
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![BU of 8sxx by Molmil](/molmil-images/mine/8sxx) | E. coli dodecamer SIR2 | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-05-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8BR6
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![BU of 8br6 by Molmil](/molmil-images/mine/8br6) | Discovery of IRAK4 Inhibitor 40 | Descriptor: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-11-22 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.167 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8SUB
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![BU of 8sub by Molmil](/molmil-images/mine/8sub) | E. coli SIR2-HerA complex (dodecamer SIR2 pentamer HerA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-05-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8BR5
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![BU of 8br5 by Molmil](/molmil-images/mine/8br5) | Discovery of IRAK4 Inhibitor 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-11-22 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8BR7
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![BU of 8br7 by Molmil](/molmil-images/mine/8br7) | Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839 | Descriptor: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-11-22 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8SUX
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![BU of 8sux by Molmil](/molmil-images/mine/8sux) | Structure of E. coli PtuA hexamer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PtuA | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | Deposit date: | 2023-05-13 | Release date: | 2024-01-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense. Nat.Struct.Mol.Biol., 31, 2024
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4CYI
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![BU of 4cyi by Molmil](/molmil-images/mine/4cyi) | Chaetomium thermophilum Pan3 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, ... | Authors: | Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A. | Deposit date: | 2014-04-11 | Release date: | 2014-06-11 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation Embo J., 33, 2014
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3VZT
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![BU of 3vzt by Molmil](/molmil-images/mine/3vzt) | |
3W2C
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![BU of 3w2c by Molmil](/molmil-images/mine/3w2c) | |
4D2W
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![BU of 4d2w by Molmil](/molmil-images/mine/4d2w) | Structure of MELK in complex with inhibitors | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-13 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4D2V
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![BU of 4d2v by Molmil](/molmil-images/mine/4d2v) | Structure of MELK in complex with inhibitors | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-13 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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8T8P
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8T8O
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![BU of 8t8o by Molmil](/molmil-images/mine/8t8o) | |
8T6L
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![BU of 8t6l by Molmil](/molmil-images/mine/8t6l) | Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B | Descriptor: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | Authors: | Tonggu, L, Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | Deposit date: | 2023-06-16 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Dual receptor-sites reveal the structural basis for hyperactivation of sodium channels by poison-dart toxin batrachotoxin. Nat Commun, 15, 2024
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8CIS
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![BU of 8cis by Molmil](/molmil-images/mine/8cis) | The FERM domain of human moesin with two bound peptides identified by phage display | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, C3P, ... | Authors: | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8EHX
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![BU of 8ehx by Molmil](/molmil-images/mine/8ehx) | cryo-EM structure of TMEM63B in LMNG | Descriptor: | CSC1-like protein 2 | Authors: | Zheng, W, Fu, T.M, Holt, J.R. | Deposit date: | 2022-09-14 | Release date: | 2023-08-23 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels. Neuron, 111, 2023
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8CIR
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![BU of 8cir by Molmil](/molmil-images/mine/8cir) | The FERM domain of human moesin with a bound peptide identified by phage display | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | Authors: | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8SU9
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![BU of 8su9 by Molmil](/molmil-images/mine/8su9) | E. coli SIR2-HerA complex (hexamer HerA bound with dodecamer Sir2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-05-11 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8SUW
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![BU of 8suw by Molmil](/molmil-images/mine/8suw) | E. coli SIR2-HerA complex (dodecamer SIR2 bound 4 protomers of HerA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-05-13 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8TJY
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![BU of 8tjy by Molmil](/molmil-images/mine/8tjy) | Structure of Gabija AB complex | Descriptor: | Endonuclease GajA, Gabija protein GajB | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | Deposit date: | 2023-07-24 | Release date: | 2024-04-24 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular basis of Gabija anti-phage supramolecular assemblies. Nat.Struct.Mol.Biol., 2024
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8CQR
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![BU of 8cqr by Molmil](/molmil-images/mine/8cqr) | |