3U2Q
 
 | | EF-Tu (Escherichia coli) in complex with NVP-LFF571 | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Palestrant, D.J. | | Deposit date: | 2011-10-04 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of LFF571: an investigational agent for Clostridium difficile infection.
J.Med.Chem., 55, 2012
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3VC4
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3VBX
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3R04
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | Descriptor: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | Authors: | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | | Deposit date: | 2011-03-07 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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5IKE
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5IMB
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3R00
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3R01
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | Descriptor: | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | Authors: | Liu, J. | | Deposit date: | 2011-03-07 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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7USZ
 | | Human DDAH-1, holo (Zn-bound) form | | Descriptor: | CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION | | Authors: | Smith, C.A, Ghebre, Y.T. | | Deposit date: | 2022-04-26 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
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7UT0
 | | Human DDAH-1, apo form | | Descriptor: | 1,2-ETHANEDIOL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Smith, C.A, Ghebre, Y.T. | | Deposit date: | 2022-04-26 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
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7AA9
 | | Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1 | | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR | | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
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7AA8
 | | Structure of SCOC LIR bound to GABARAP | | Descriptor: | Chimera made of SCOC (6-23) + linker (GS) + GABARAP,Gamma-aminobutyric acid receptor-associated protein | | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
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7AA7
 | | Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1 | | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 1, pS12/pS18 SCOC LIR, sulfoacetic acid | | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
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5JBQ
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5YOZ
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5ZK0
 | | Crystal structure of Peptidyl-tRNA hydrolase mutant -M71A from Vibrio cholerae | | Descriptor: | Peptidyl-tRNA hydrolase, SODIUM ION | | Authors: | Shahid, S, Kabra, A, Pal, R.K, Arora, A. | | Deposit date: | 2018-03-22 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Role of methionine 71 in substrate recognition and structural integrity of bacterial peptidyl-tRNA hydrolase.
Biochim. Biophys. Acta, 1866, 2018
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2MP4
 | | Solution Structure of ADF like UNC-60A Protein of Caenorhabditis elegans | | Descriptor: | Actin-depolymerizing factor 1, isoforms a/b | | Authors: | Shukla, V, Yadav, R, Kabra, A, Kumar, D, Ono, S, Arora, A. | | Deposit date: | 2014-05-11 | | Release date: | 2014-06-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Backbone dynamics of ADF like UNC-60A protein from Caenorhabditis elegans: its divergence from conventional ADF/cofilin
To be Published
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5YNR
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3OYO
 | | Crystal structure of hemopexin fold protein CP4 from cow pea | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Gaur, V, Chanana, V, Salunke, D.M. | | Deposit date: | 2010-09-23 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of a haemopexin-fold protein from cow pea (Vigna unguiculata) suggests functional diversity of haemopexins in plants
Acta Crystallogr.,Sect.F, 67, 2011
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7N03
 | | Crystal structure of MTH1 in complex with compound 31 | | Descriptor: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eron, S.J. | | Deposit date: | 2021-05-24 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
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7N13
 | | Crystal structure of MTH1 in complex with compound 32 | | Descriptor: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eron, S.J. | | Deposit date: | 2021-05-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
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2MV2
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6ISJ
 | | Crystal structure of CX-4945 bound CK2 alpha from C. neoformans | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Cho, H.S. | | Deposit date: | 2018-11-16 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CX-4945 bound CK2 alpha from C. neoformans
To be published
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3U6K
 | | Ef-tu (escherichia coli) in complex with nvp-ldk733 | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Palestrant, D.J. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
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3U6B
 | | Ef-tu (escherichia coli) in complex with nvp-ldi028 | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Palestrant, D.J. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
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