6CGF
 
 | | Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-02-20 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
|
|
6C0R
 | | Crystal structure of HIV-1 K103N/Y181C mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-02 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
|
|
8U48
 | | Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate | | Descriptor: | Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J. | | Deposit date: | 2023-09-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
|
|
8U46
 | |
8U9F
 | | Crystal structure of Bacteroides thetaiotamicron BT1285 in complex with NaI | | Descriptor: | 1,2-ETHANEDIOL, Endo-beta-N-acetylglucosaminidase, IODIDE ION, ... | | Authors: | Sastre, D.E, Navarro, M.V.A.S, Sundberg, E.J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-29 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
|
|
8U47
 | |
9AUW
 | | Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE9979 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AUV
 | | Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE9123 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AUX
 | | Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE2011 | | Descriptor: | 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AUZ
 | | Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9979 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AV2
 | | Crystal structure of E. coli GuaB dCBS with inhibitor GNE9979 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AUY
 | | Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9123 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AV1
 | | Crystal structure of E. coli GuaB dCBS with inhibitor GNE9123 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
9AV3
 | | Crystal structure of E. coli GuaB dCBS with inhibitor GNE2011 | | Descriptor: | 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
|
|
6CB8
 | |
3O8D
 | |
8FE8
 | | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | | Authors: | Rumrill, S, Ruiz, F.X, Arnold, E. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
|
|
3O8C
 | |
3O8B
 | |
6IMC
 | | Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine | | Descriptor: | MANGANESE (II) ION, N-OXALYLGLYCINE, Nucleic acid dioxygenase ALKBH1 | | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | | Deposit date: | 2018-10-22 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
|
|
8WRF
 | | Crystal structure of MexL | | Descriptor: | Probable transcriptional regulator | | Authors: | Wei, Y, Wu, Z.K. | | Deposit date: | 2023-10-14 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual-function regulator MexL as a target to control phenazines production and pathogenesis of Pseudomonas aeruginosa.
Nat Commun, 16, 2025
|
|
2BAX
 | | Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic Phospholipase A2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Sekar, K, Yogavel, M, Velmurugan, D, Dauter, Z, Dauter, M, Tsai, M.D. | | Deposit date: | 2005-10-15 | | Release date: | 2005-10-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.F, 61, 2005
|
|
3PWS
 | |
3PYX
 | | Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and 2-aminoterephthalate | | Descriptor: | 1,2-ETHANEDIOL, 2-aminobenzene-1,4-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2010-12-13 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
|
|
7VOC
 | | The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ... | | Authors: | Hou, X.L, Zhou, J.H. | | Deposit date: | 2021-10-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.62005424 Å) | | Cite: | Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
|
|
