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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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 | | Last modified: | 2024-11-06 | | 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
 | | 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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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: | 2024-10-23 | | 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
 | | 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: | 2024-11-06 | | 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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6PWN
 | | MscS Nanodisc with N-terminal His-Tag | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, HEXADECANE, 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 (3.1 Å) | | Cite: | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS.
Elife, 8, 2019
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6PWO
 | | MscS DDM | | 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 (3.4 Å) | | Cite: | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS.
Elife, 8, 2019
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8TTO
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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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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: | 2024-11-06 | | 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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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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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
 | | 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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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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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: | 2024-10-16 | | 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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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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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: | 2024-10-09 | | 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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4L5R
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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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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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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: | 2024-10-30 | | 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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