6OT1
 
 | |
6OSY
 | |
6L8L
 | | C-Src in complex with ibrutinib | | 分子名称: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Guo, M, Dai, S, Chen, L, Chen, Y. | | 登録日 | 2019-11-06 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.888 Å) | | 主引用文献 | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
|
|
8IPT
 | |
8IPS
 | |
8IPR
 | |
8IPQ
 | |
6LHD
 | | Crystal structure of p53/BCL-xL fusion complex | | 分子名称: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | | 著者 | Wei, H, Chen, Y. | | 登録日 | 2019-12-07 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | | 主引用文献 | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
|
|
6WFN
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WF3
 | | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | | 分子名称: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.291 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | 分子名称: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | 分子名称: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
8HPE
 | | Crystal structure of Leucine dehydrogenase | | 分子名称: | GLYCEROL, Leucine dehydrogenase, SULFATE ION | | 著者 | Li, X, Song, W. | | 登録日 | 2022-12-12 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
|
|
8HR6
 | |
6US2
 | | MTH1 in complex with compound 5 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.80012655 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
|
|
6US3
 | | MTH1 in complex with compound 4 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.47028923 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
|
|
6US4
 | | MTH1 in complex with compound 32 | | 分子名称: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95032907 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
|
|
5TKJ
 | | Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519 | | 分子名称: | HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ... | | 著者 | Xu, K, Liu, K, Kwong, P.D. | | 登録日 | 2016-10-06 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.118 Å) | | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
|
|
6LC1
 | |
6M3M
 | |
1MKU
 | |
5TKK
 | |
1MKS
 | |
