8B6U
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![BU of 8b6u by Molmil](/molmil-images/mine/8b6u) | Mpf2Ba1 monomer | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | Deposit date: | 2022-09-27 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Structural journey of an insecticidal protein against western corn rootworm. Nat Commun, 14, 2023
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8B6W
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![BU of 8b6w by Molmil](/molmil-images/mine/8b6w) | Mpf2Ba1 pore | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | Deposit date: | 2022-09-27 | Release date: | 2023-05-31 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural journey of an insecticidal protein against western corn rootworm. Nat Commun, 14, 2023
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8B6V
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![BU of 8b6v by Molmil](/molmil-images/mine/8b6v) | Mp2Ba1 pre-pore | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | Deposit date: | 2022-09-27 | Release date: | 2023-05-31 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural journey of an insecticidal protein against western corn rootworm. Nat Commun, 14, 2023
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6PWP
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![BU of 6pwp by Molmil](/molmil-images/mine/6pwp) | MscS Nanodisc | Descriptor: | Small-conductance mechanosensitive channel | Authors: | Reddy, B.G, Perozo, E. | Deposit date: | 2019-07-23 | Release date: | 2020-01-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS. Elife, 8, 2019
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5I2K
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![BU of 5i2k by Molmil](/molmil-images/mine/5i2k) | Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19) | Descriptor: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-02-09 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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5I2N
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![BU of 5i2n by Molmil](/molmil-images/mine/5i2n) | Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-02-09 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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5KDT
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![BU of 5kdt by Molmil](/molmil-images/mine/5kdt) | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | Descriptor: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-06-08 | Release date: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J. Med. Chem., 59, 2016
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7JUP
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![BU of 7jup by Molmil](/molmil-images/mine/7jup) | Structure of human TRPA1 in complex with antagonist compound 21 | Descriptor: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J.Med.Chem., 64, 2021
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6N1I
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![BU of 6n1i by Molmil](/molmil-images/mine/6n1i) | Cryo-EM structure of NLRC4-CARD filament | Descriptor: | NLR family CARD domain-containing protein 4 | Authors: | Li, Y, Fu, T, Wu, H. | Deposit date: | 2018-11-08 | Release date: | 2018-12-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Cryo-EM structures of ASC and NLRC4 CARD filaments reveal a unified mechanism of nucleation and activation of caspase-1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6NDJ
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![BU of 6ndj by Molmil](/molmil-images/mine/6ndj) | Crystal structure of human NLRP6 PYD domain with MBP fusion | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, NACHT, LRR and PYD domains-containing protein 6 chimera | Authors: | Shen, C, Fu, T.M, Wu, H. | Deposit date: | 2018-12-13 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular mechanism for NLRP6 inflammasome assembly and activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NCV
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![BU of 6ncv by Molmil](/molmil-images/mine/6ncv) | Cryo-EM structure of NLRP6 PYD filament | Descriptor: | NACHT, LRR and PYD domains-containing protein 6 | Authors: | Shen, C, Fu, T.M, Wu, H. | Deposit date: | 2018-12-12 | Release date: | 2019-01-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular mechanism for NLRP6 inflammasome assembly and activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4X9Z
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![BU of 4x9z by Molmil](/molmil-images/mine/4x9z) | Dimeric conotoxin alphaD-GeXXA | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | Deposit date: | 2014-12-12 | Release date: | 2015-12-02 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors Sci Rep, 5, 2015
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8TTO
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![BU of 8tto by Molmil](/molmil-images/mine/8tto) | |
4L5Q
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![BU of 4l5q by Molmil](/molmil-images/mine/4l5q) | Crystal structure of p202 HIN1 | Descriptor: | Interferon-activable protein 202 | Authors: | Yin, Q, Tian, Y, Wu, H. | Deposit date: | 2013-06-11 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation. Cell Rep, 4, 2013
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4L5R
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![BU of 4l5r by Molmil](/molmil-images/mine/4l5r) | |
4L5S
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![BU of 4l5s by Molmil](/molmil-images/mine/4l5s) | p202 HIN1 in complex with 12-mer dsDNA | Descriptor: | 12-mer DNA, Interferon-activable protein 202, SULFATE ION | Authors: | Yin, Q, Tian, Y, Wu, H. | Deposit date: | 2013-06-11 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation. Cell Rep, 4, 2013
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4L5T
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![BU of 4l5t by Molmil](/molmil-images/mine/4l5t) | Crystal structure of the tetrameric p202 HIN2 | Descriptor: | Interferon-activable protein 202 | Authors: | Yin, Q, Tian, Y, Wu, H. | Deposit date: | 2013-06-11 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.405 Å) | Cite: | Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation. Cell Rep, 4, 2013
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6N1H
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![BU of 6n1h by Molmil](/molmil-images/mine/6n1h) | Cryo-EM structure of ASC-CARD filament | Descriptor: | Apoptosis-associated speck-like protein containing a CARD | Authors: | Li, Y, Fu, T, Wu, H. | Deposit date: | 2018-11-08 | Release date: | 2018-12-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Cryo-EM structures of ASC and NLRC4 CARD filaments reveal a unified mechanism of nucleation and activation of caspase-1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5TP9
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![BU of 5tp9 by Molmil](/molmil-images/mine/5tp9) | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | Descriptor: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-10-20 | Release date: | 2016-11-30 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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5TPA
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![BU of 5tpa by Molmil](/molmil-images/mine/5tpa) | Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | Descriptor: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-10-20 | Release date: | 2016-11-30 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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8U7I
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![BU of 8u7i by Molmil](/molmil-images/mine/8u7i) | Structure of the phage immune evasion protein Gad1 bound to the Gabija GajAB complex | Descriptor: | Endonuclease GajA, Gabija Anti-Defense 1, Gabija protein GajB | Authors: | Antine, S.P, Johnson, A.G, Mooney, S.E, Mayer, M.L, Kranzusch, P.J. | Deposit date: | 2023-09-15 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis of Gabija anti-phage defence and viral immune evasion. Nature, 625, 2024
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