5I9M
 
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | | Descriptor: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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4M0U
 | | crystal structure of human PRS1 Q133P mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-08-02 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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5J5A
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556) | | Descriptor: | METHIONINE, Methionyl-tRNA synthetase, putative, ... | | Authors: | Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J. | | Deposit date: | 2016-04-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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5J58
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) | | Descriptor: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Barros-Alvarez, X, Hol, W.G.J. | | Deposit date: | 2016-04-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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5K0T
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1XPC
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8GQU
 | | AK-42 inhibitor binding human ClC-2 TMD | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2 | | Authors: | Wang, L. | | Deposit date: | 2022-08-30 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
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4LZN
 | | Crystal structure of human PRS1 D65N mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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4M0P
 | | Crystal structure of human PRS1 M115T mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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5J59
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | | Descriptor: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | | Authors: | Barros-Alvarez, X, Hol, W.G.J. | | Deposit date: | 2016-04-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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5I5F
 | | Salmonella global domain 191 | | Descriptor: | Inner membrane protein YejM | | Authors: | Dong, C, Dong, H. | | Deposit date: | 2016-02-15 | | Release date: | 2016-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
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5I9N
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | | Descriptor: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5IFL
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-26 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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4LZO
 | | Crystal structure of human PRS1 A87T mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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5K0S
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1XP9
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1XP1
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | | Descriptor: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor | | Authors: | Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2004-10-07 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
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4YSJ
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1XP6
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | | Authors: | Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2004-10-08 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
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4YRK
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4YRI
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4YRR
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8QNZ
 | | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ... | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2023-09-27 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
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4YRO
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4YRL
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