8CGZ
 
 | | tubulin-AB8939 complex | | Descriptor: | 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Varela, P.F, Gigant, B. | | Deposit date: | 2023-02-06 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.527 Å) | | Cite: | Development of AB8939, a Novel Colchicine-like Microtubule Synthetic Destabilizer with the Ability to Overcome Multidrug Resistance
TO BE PUBLISHED
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7K4W
 | | Crystal structure of Kemp Eliminase HG3.17 in the inactive state | | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7B1C
 | | Cryo-EM of Aedes Aegypti Toll5A trimer bound to Spz1C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAEL013433-PA, ... | | Authors: | Gangloff, M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2020-11-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Structure and dynamics of Toll immunoreceptor activation in the mosquito Aedes aegypti.
Nat Commun, 13, 2022
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3I3R
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7B1B
 | | Cryo-EM of Aedes Aegypti Toll5A dimer bound to Spz1C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAEL013433-PA, ... | | Authors: | Gangloff, M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2020-11-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (4.23 Å) | | Cite: | Structure and dynamics of Toll immunoreceptor activation in the mosquito Aedes aegypti.
Nat Commun, 13, 2022
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7AXG
 | | Crystal structure of the hPXR-LBD in complex with tributyltin | | Descriptor: | Nuclear receptor subfamily 1 group I member 2, tributylstannanyl | | Authors: | Delfosse, V, Huet, T, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7B1D
 | | Cryo-EM of Aedes Aegypti Toll5A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor | | Authors: | Gangloff, M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2020-11-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structure and dynamics of Toll immunoreceptor activation in the mosquito Aedes aegypti.
Nat Commun, 13, 2022
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8V0E
 | | ANK repeat of MIB1 | | Descriptor: | E3 ubiquitin-protein ligase MIB1, Unidentified MIB1 peptide | | Authors: | Cao, R, Blacklow, S.C. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural requirements for activity of Mind bomb1 in Notch signaling.
Structure, 32, 2024
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7AX9
 | | Crystal structure of the hPXR-LBD in complex with cis-chlordane | | Descriptor: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Granell, M, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXH
 | | Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Huet, T, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2XQQ
 | | Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide (Ac-SRGTQTE). | | Descriptor: | ACETATE ION, DYNEIN LIGHT CHAIN 2, CYTOPLASMIC, ... | | Authors: | Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G. | | Deposit date: | 2010-09-07 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Directed Evolution Reveals the Binding Motif Preference of the Lc8/Dynll Hub Protein and Predicts Large Numbers of Novel Binders in the Human Proteome
Plos One, 6, 2011
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3HVG
 | | Structure of bace (beta secretase) in Complex with EV0 | | Descriptor: | 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | | Deposit date: | 2009-06-16 | | Release date: | 2009-11-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
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7K7Y
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7K9S
 | | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922 | | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Hsp90-like protein | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2020-09-29 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
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7AXE
 | | Crystal structure of the hPXR-LBD in complex with oxadiazon | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Harrus, D, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7AXD
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7AXL
 | | Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8WBX
 | | Cryo-EM structure of the ABCG25 bound to ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-10 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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8WAM
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8WD6
 | | Cryo-EM structure of the ABCG25 | | Descriptor: | ABC transporter G family member 25 | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-14 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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8WBA
 | | Cryo-EM structure of the ABCG25 bound to CHS | | Descriptor: | ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-09 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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7V5Y
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7V5Z
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8V45
 | | CryoEM structure of AriA-Ocr complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AriA antitoxin, Protein Ocr | | Authors: | Deep, A, Corbett, K.D. | | Deposit date: | 2023-11-28 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Architecture and activation mechanism of the bacterial PARIS defence system.
Nature, 634, 2024
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