5K11
 
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | 登録日 | 2016-05-17 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
|
|
1OY9
 | | Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | | 分子名称: | Acriflavine resistance protein B, ETHIDIUM | | 著者 | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | | 登録日 | 2003-04-03 | | 公開日 | 2003-05-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump.
Science, 300, 2003
|
|
5JOY
 | | Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraLOG | | 分子名称: | (Z)-L-Arabinonhydroximo-1,4-lactone, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | 登録日 | 2016-05-03 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
|
|
5JP6
 | | Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279 | | 分子名称: | MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION | | 著者 | Lovering, A.L. | | 登録日 | 2016-05-03 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts.
Sci Rep, 6, 2016
|
|
6ZO8
 | | Minocycline binding to the deep binding pocket of AcrB-G621P | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOD
 | | Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | | 分子名称: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | | 著者 | Oswald, C, Tam, H.K, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZO5
 | | Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZO9
 | | Binding of two rifabutins to the access pocket of AcrB-G621P T protomer | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZO6
 | | Minocycline binding to the deep binding pocket of AcrB-G619P | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOB
 | | 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZO7
 | | 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer | | 分子名称: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOF
 | | Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer | | 分子名称: | DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOH
 | | 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOG
 | | Minocycline binding to the deep binding pocket of AcrB-I38F_I671T | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
6ZOE
 | | AcrB-F563A symmetric T protomer | | 分子名称: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
5JVZ
 | |
5KDZ
 | |
6ZOA
 | | Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
5JWT
 | | T4 Lysozyme L99A/M102Q with Benzene Bound | | 分子名称: | BENZENE, Endolysin | | 著者 | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | 登録日 | 2016-05-12 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
|
|
6ZOC
 | | Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer | | 分子名称: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
|
|
5K2R
 | |
8Q1E
 | | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate | | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... | | 著者 | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | 登録日 | 2023-07-31 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
|
|
1MDF
 | | CRYSTAL STRUCTURE OF DhbE IN ABSENCE OF SUBSTRATE | | 分子名称: | 2,3-dihydroxybenzoate-AMP ligase, SULFATE ION | | 著者 | May, J.J, Kessler, N, Marahiel, M.A, Stubbs, M.T. | | 登録日 | 2002-08-07 | | 公開日 | 2002-09-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
5K3G
 | | Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-I | | 分子名称: | Acyl-coenzyme A oxidase | | 著者 | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | | 登録日 | 2016-05-19 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.859 Å) | | 主引用文献 | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5KAS
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | 著者 | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | 登録日 | 2016-06-02 | | 公開日 | 2016-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | | 主引用文献 | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
|
|
