6EZ2
| Human butyrylcholinesterase carbamylated. | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | 登録日 | 2017-11-14 | 公開日 | 2018-12-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model. Commun Chem, 2019
|
|
6EUJ
| |
6EYF
| Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ... | 著者 | Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B. | 登録日 | 2017-11-12 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model Commun Chem, 2019
|
|
6F8O
| AKR1B1 at 3.45 MGy radiation dose. | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Castellvi, A, Juanhuix, J. | 登録日 | 2017-12-13 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
|
|
6EUF
| The GH43, Beta 1,3 Galactosidase, BT0265 | 分子名称: | Beta-glucanase, alpha-L-arabinofuranose-(1-3)-[alpha-L-arabinofuranose-(1-4)][beta-D-glucopyranuronic acid-(1-6)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose, alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-6)-[alpha-L-arabinofuranose-(1-3)][alpha-L-arabinofuranose-(1-4)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose | 著者 | Cartmell, A, Gilbert, H.J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
|
|
6EUH
| The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION | 著者 | Cartmell, A, Gilbert, H.J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
|
|
6EUG
| |
2KX5
| Recognition of HIV TAR RNA by peptide mimetic of Tat protein | 分子名称: | Cyclic peptide mimetic of Tat protein, HIV TAR RNA | 著者 | Davidson, A, Patora-Komisarska, K, Robinson, J, Varani, G. | 登録日 | 2010-04-26 | 公開日 | 2010-07-07 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Essential structural requirements for specific recognition of HIV TAR RNA by peptide mimetics of Tat protein. Nucleic Acids Res., 39, 2011
|
|
6F81
| AKR1B1 at 0.75 MGy radiation dose. | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Castellvi, A, Juanhuix, J. | 登録日 | 2017-12-12 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
|
|
6EYZ
| PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | 分子名称: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | 登録日 | 2017-11-13 | 公開日 | 2017-12-20 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
|
|
6EUE
| Rivastigmine analogue bound to Tc ACHE. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | 著者 | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | 登録日 | 2017-10-30 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model Commun Chem, 2019
|
|
2J5E
| |
6F82
| AKR1B1 at 1.65 MGy radiation dose. | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Castellvi, A, Juanhuix, J. | 登録日 | 2017-12-12 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
|
|
6F7R
| AKR1B1 at 0.03 MGy radiation dose. | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Castellvi, A, Juanhuix, J. | 登録日 | 2017-12-11 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
|
|
6F7C
| TUBULIN-Compound 12 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide, CALCIUM ION, ... | 著者 | Muehlethaler, T, Prota, A.E, Steinmetz, M.O. | 登録日 | 2017-12-08 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Structural Basis of Colchicine-Site targeting Acylhydrazones active against Multidrug-Resistant Acute Lymphoblastic Leukemia. Iscience, 21, 2019
|
|
7NBG
| Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen. | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | 著者 | Koulouris, C.R, Roe, S.M. | 登録日 | 2021-01-26 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
|
|
7NBH
| Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen. | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Koulouris, C.R, Roe, S.M. | 登録日 | 2021-01-26 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
|
|
7NBD
| Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen. | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Koulouris, C.R, Roe, S.M. | 登録日 | 2021-01-26 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.865 Å) | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
|
|
7NBC
| Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen. | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | 著者 | Koulouris, C.R, Roe, S.M. | 登録日 | 2021-01-26 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
|
|
7NBF
| Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen. | 分子名称: | 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CALCIUM ION, ... | 著者 | Koulouris, C.R, Roe, S.M. | 登録日 | 2021-01-26 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
|
|
6DEO
| |
6DEQ
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DDI
| Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2018-05-10 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
|
|
7M7W
| Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | 著者 | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | 登録日 | 2021-03-29 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
|
|
6DKP
| The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | 分子名称: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | 著者 | Hellman, L.M, Singh, N.K. | 登録日 | 2018-05-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
|
|