8TZ9
 
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8TZ8
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8TZ7
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8TZ0
 | | Structure of a bacterial E1-E2-Ubl complex (form 1) | | Descriptor: | E1(BilD), E2(BilB), Ubl(BilA), ... | | Authors: | Ye, Q, Chambers, L.R, Corbett, K.D. | | Deposit date: | 2023-08-26 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | A eukaryotic-like ubiquitination system in bacterial antiviral defence.
Nature, 631, 2024
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8TYQ
 | | Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant) | | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Designed Ankyrin Repeats Protein E11, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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8TYP
 | | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | Descriptor: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Geisbrecht, B.V. | | Deposit date: | 2023-08-25 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
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8TYO
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8TYL
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8TYJ
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8TYH
 | | Plasmodium vivax PMX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-tungstotellurate(VI), Aspartyl protease, ... | | Authors: | Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2023-08-25 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Plasmodium vivax PMX
To Be Published
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8TYG
 | | Plasmodium vivax PMV-WM08 inhibitor complex | | Descriptor: | (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2023-08-25 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Plasmodium vivax PMV-WM08 inhibitor complex
To Be Published
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8TY5
 | | MI-14 bound to Mpro of SARS-CoV-2 | | Descriptor: | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-14 bound to SARS-CoV-2 Mpro
To Be Published
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8TY4
 | | MI-30 bound to Mpro of SARS-CoV-2 | | Descriptor: | (1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-30 bound to SARS-CoV-2 Mpro
To Be Published
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8TY3
 | | MI-31 ligand bound to SARS-CoV-2 Mpro | | Descriptor: | (1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-31 bound to SARS-CoV-2 Mpro
To Be Published
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8TXY
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8TXS
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8TXL
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8TXH
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXG
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXF
 | | AvrB bound with RIN4 C-NOI motif | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ... | | Authors: | Peng, W, Orth, K. | | Deposit date: | 2023-08-23 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
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8TXE
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | Descriptor: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TX9
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8TX5
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8TX0
 | | IRAK4 in complex with compound | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-08-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.
J.Med.Chem., 67, 2024
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8TWZ
 | | ELIC with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2023-08-21 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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