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7W77
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BU of 7w77 by Molmil
cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jiang, D, Li, X.
Deposit date:2021-12-03
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
3EII
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BU of 3eii by Molmil
Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
Deposit date:2008-09-16
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
3EJA
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BU of 3eja by Molmil
Magnesium-bound glycoside hydrolase 61 isoform E from Thielavia terrestris
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
Deposit date:2008-09-18
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
7K6O
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BU of 7k6o by Molmil
Crystal structure of PI3Kalpha inhibitor 10-5429
Descriptor: (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K71
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BU of 7k71 by Molmil
Crystal structure of PI3Kalpha inhibitor 4-0686
Descriptor: 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K6N
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BU of 7k6n by Molmil
Crystal structure of PI3Kalpha selective Inhibitor 11-1575
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K6M
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BU of 7k6m by Molmil
Crystal structure of PI3Kalpha selective Inhibitor PF-06843195
Descriptor: 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
4GJH
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BU of 4gjh by Molmil
Crystal Structure of the TRAF domain of TRAF5
Descriptor: TNF receptor-associated factor 5
Authors:Zhang, P, Reichardt, A, Liang, H, Wang, Y, Cheng, D, Aliyari, R, Cheng, G, Liu, Y.
Deposit date:2012-08-09
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
4GHU
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BU of 4ghu by Molmil
Crystal structure of TRAF3/Cardif
Descriptor: Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3
Authors:Zhang, P.
Deposit date:2012-08-08
Release date:2012-11-28
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
5XZD
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BU of 5xzd by Molmil
Structure of acryloyl-CoA hydratase AcuH from Roseovarius nubinhibens ISM
Descriptor: ACETIC ACID, Enoyl-CoA hydratase
Authors:Zhang, Y.Z, Wang, P, Cao, H.Y.
Deposit date:2017-07-12
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Insight into the Acryloyl-CoA Hydration by AcuH for Acrylate Detoxification in Dimethylsulfoniopropionate-Catabolizing Bacteria
Front Microbiol, 8, 2017
5YAN
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BU of 5yan by Molmil
Deconstructing the Salt-Bridge Network of a Computationally Designed Collagen Heterotrimer
Descriptor: Collagen
Authors:Fan, S.
Deposit date:2017-09-01
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:How electrostatic networks modulate specificity and stability of collagen.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7F9O
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BU of 7f9o by Molmil
PSI-NDH supercomplex of Barley
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X.
Deposit date:2021-07-04
Release date:2021-12-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022

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