7DFT
| Crystal structure of Xanthomonas oryzae ClpP | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION | Authors: | Yang, C.-G, Yang, T. | Deposit date: | 2020-11-09 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dysregulation of ClpP by Small-Molecule Activators Used Against Xanthomonas oryzae pv. oryzae Infections. J.Agric.Food Chem., 69, 2021
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7DFU
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7DKM
| PHGDH covalently linked to oridonin | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ... | Authors: | Sun, Q, Lei, Y. | Deposit date: | 2020-11-25 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors. Cell.Mol.Life Sci., 79, 2021
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7WQJ
| Crystal structure of MERS main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-01-25 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
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7W9N
| THE STRUCTURE OF OBA33-OTA COMPLEX | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER) | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2021-12-10 | Release date: | 2022-01-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer. J.Am.Chem.Soc., 144, 2022
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7XMV
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A(AMP/ADP) filament bound with ADP, AMP and R5P | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-27 | Release date: | 2022-06-29 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
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7XMU
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A filament bound with ADP, Pi and R5P | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-26 | Release date: | 2022-06-29 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
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7XN3
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type B filament bound with Pi | Descriptor: | PHOSPHATE ION, Ribose-phosphate pyrophosphokinase | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-27 | Release date: | 2022-06-29 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
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7YK1
| Structural basis of human PRPS2 filaments | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Lu, G.M, Hu, H.H, Liu, J.L. | Deposit date: | 2022-07-21 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of human PRPS2 filaments. Cell Biosci, 13, 2023
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6MO5
| Co-Crystal structure of P. aeruginosa LpxC-50228 complex | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOO
| Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MO4
| Co-Crystal structure of P. aeruginosa LpxC-50067 complex | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
| Co-Crystal structure of P. aeruginosa LpxC-50432 complex | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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