8EBL
 
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5XIG
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1 | | Descriptor: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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7UN9
 | | SfSTING with c-di-GMP double fiber | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12 | | Authors: | Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J. | | Deposit date: | 2022-04-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
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6S7Z
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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7UN8
 | | SfSTING with c-di-GMP single fiber | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12 | | Authors: | Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J. | | Deposit date: | 2022-04-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
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6UVJ
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7UWJ
 | | Structure of the homodimeric IL-25-IL-17RB binary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor B, Interleukin-25 | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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7K75
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7UNA
 | | SfSTING with cGAMP (masked) | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CD-NTase-associated protein 12 | | Authors: | Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J. | | Deposit date: | 2022-04-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
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6S5W
 | | Structure of Rib domain 'Rib Long' from Lactobacillus acidophilus | | Descriptor: | SODIUM ION, SULFATE ION, Surface protein | | Authors: | Griffiths, S.C, Cooper, R.E.M, Whelan, F, Whittingham, J.L, Bateman, A, Potts, J.R. | | Deposit date: | 2019-07-02 | | Release date: | 2019-12-11 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7MA1
 | | HIV-1 Protease (I84V) in Complex with GRL-98065 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | HIV-1 Protease (I84V) in Complex with GRL-98065
To Be Published
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6IC5
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 | | Descriptor: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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7U9Q
 | | Structure of PKA phosphorylated human RyR2 in the closed state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | Authors: | Miotto, M.C, Marks, A.R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment.
Sci Adv, 8, 2022
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7U9X
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7R3X
 | | The crystal structure of the L439V variant of Pol2CORE in complex with DNA and an incoming nucleotide | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CALCIUM ION, ... | | Authors: | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | | Deposit date: | 2022-02-08 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels.
Nucleic Acids Res., 50, 2022
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7B6K
 | | Crystal structure of MurE from E.coli in complex with Z57715447 | | Descriptor: | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.838 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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8UPY
 | | Methanosarcine mazei tRNAPyl in A-site of ribosome | | Descriptor: | RNA (72-MER) | | Authors: | Krahn, N, Zhang, J, Melnikov, S.V, Tharp, J.M, Villa, A, Patel, A, Howard, R.J, Gabir, H, Patel, T.R, Stetefeld, J, Puglisi, J, Soll, D. | | Deposit date: | 2023-10-23 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut.
Nucleic Acids Res., 52, 2024
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6S79
 | | Crystal structure of CARM1 in complex with inhibitor AA183 | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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5XIP
 | | Crystal Structure of Eimeria tenella Prolyl-tRNA Synthetase (EtPRS) in complex with Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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8SGH
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8SJF
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7UA3
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8SJG
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6RRO
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8SJI
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