5M12
 
 | | Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with intact cyclopropyl-carbasugar. | | 分子名称: | (1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol, Alpha-galactosidase, MAGNESIUM ION, ... | | 著者 | Pengelly, R, Gloster, T. | | 登録日 | 2016-10-07 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6O4C
 | | Structure of ALDH7A1 mutant W175A complexed with NAD | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | | 著者 | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
|
|
8CUL
 | | Xray ray crystal structure of OXA-24/40 in complex with CR167 | | 分子名称: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | | 著者 | Fernando, M.C, Wallar, B.J, Powers, R.A. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
|
|
7US3
 | |
8CUQ
 | | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6e | | 分子名称: | 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase | | 著者 | Fernando, M.C, Wallar, B.J, Powers, R.A. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
|
|
8CUO
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | | 分子名称: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | 著者 | Fernando, M.C, Wallar, B.J, Powers, R.A. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
|
|
5JDS
 | |
8CUM
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | | 分子名称: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | 著者 | Fernando, M.C, Wallar, B.J, Powers, R.A. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
|
|
6WTA
 | |
6WSH
 | |
7UFJ
 | | Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR | | 分子名称: | 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ... | | 著者 | Wang, C.J, Rossjohn, J, Le Nours, J. | | 登録日 | 2022-03-22 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
|
|
8CUP
 | | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d | | 分子名称: | 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase | | 著者 | Fernando, M.C, Wallar, B.J, Powers, R.A. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
|
|
5JEF
 | | Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state | | 分子名称: | EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ | | 著者 | Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V. | | 登録日 | 2016-04-18 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
|
|
8DCM
 | |
8J1C
 | |
6WTQ
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | | 著者 | Yu, S, Nithianantham, S, Fischer, M. | | 登録日 | 2020-05-03 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.79968476 Å) | | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
|
|
6O7N
 | |
8CUR
 | | Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | 分子名称: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 | | 著者 | Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M. | | 登録日 | 2022-05-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
|
|
6WTN
 | | Human JAK2 JH1 domain in complex with Ruxolitinib | | 分子名称: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | | 著者 | Yu, S, Nithianantham, S, Fischer, M. | | 登録日 | 2020-05-03 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
|
|
8J1G
 | |
6WTP
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | | 分子名称: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | | 著者 | Yu, S, Nithianantham, S, Fischer, M. | | 登録日 | 2020-05-03 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
|
|
6OP1
 | |
6O8O
 | | Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | | 分子名称: | CHLORIDE ION, SULFATE ION, Transcriptional regulator, ... | | 著者 | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2019-03-11 | | 公開日 | 2020-04-01 | | 最終更新日 | 2020-12-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
|
|
6WTO
 | | Human JAK2 JH1 domain in complex with Baricitinib | | 分子名称: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | | 著者 | Yu, S, Nithianantham, S, Fischer, M. | | 登録日 | 2020-05-03 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
|
|
5JGJ
 | | Crystal structure of GtmA | | 分子名称: | UbiE/COQ5 family methyltransferase, putative | | 著者 | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | | 登録日 | 2016-04-20 | | 公開日 | 2017-03-01 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
|
|
