2R58
 
 | |
7DSL
 | | Overall structure of the LAT1-4F2hc bound with JX-078 | | 分子名称: | (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | 登録日 | 2020-12-31 | | 公開日 | 2021-03-10 | | 最終更新日 | 2022-06-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
|
|
7DSQ
 | | Overall structure of the LAT1-4F2hc bound with 3,5-diiodo-L-tyrosine | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIIODOTYROSINE, ... | | 著者 | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | 登録日 | 2020-12-31 | | 公開日 | 2021-03-10 | | 最終更新日 | 2022-06-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
|
|
7DSK
 | | Overall structure of the LAT1-4F2hc bound with JX-075 | | 分子名称: | (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | 登録日 | 2020-12-31 | | 公開日 | 2021-03-10 | | 最終更新日 | 2022-06-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
|
|
7DSN
 | | Overall structure of the LAT1-4F2hc bound with JX-119 | | 分子名称: | (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | 登録日 | 2020-12-31 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
|
|
3KMC
 | | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | | 分子名称: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | | 著者 | Orth, P. | | 登録日 | 2009-11-10 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
|
|
3O64
 | | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | | 分子名称: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | 著者 | Orth, P. | | 登録日 | 2010-07-28 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
5J8Y
 | |
4NJ3
 | |
4JA8
 | | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | | 分子名称: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | | 著者 | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | | 登録日 | 2013-02-18 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation.
Science, 340, 2013
|
|
8PJN
 | | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | | 分子名称: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-23 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
|
|
8PMQ
 | | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | | 分子名称: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-29 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
|
|
7AT8
 | | Histone H3 recognition by nucleosome-bound PRC2 subunit EZH2. | | 分子名称: | Histone H2A, Histone H2B 1.1, Histone H3.2, ... | | 著者 | Finogenova, K, Benda, C, Schaefer, I.B, Poepsel, S, Strauss, M, Mueller, J. | | 登録日 | 2020-10-29 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structural basis for PRC2 decoding of active histone methylation marks H3K36me2/3.
Elife, 9, 2020
|
|
4M97
 | |
8PP7
 | | human RYBP-PRC1 bound to mononucleosome | | 分子名称: | DNA (215-mer), E3 ubiquitin-protein ligase RING2, Histone H2A, ... | | 著者 | Ciapponi, M, Benda, C, Mueller, J. | | 登録日 | 2023-07-06 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | Structural basis of the histone ubiquitination read-write mechanism of RYBP-PRC1.
Nat.Struct.Mol.Biol., 31, 2024
|
|
8PP6
 | | human RYBP-PRC1 bound to H2AK118ub1 nucleosome | | 分子名称: | DNA (215-MER), Histone H2A, Histone H2B, ... | | 著者 | Ciapponi, M, Benda, C, Mueller, J. | | 登録日 | 2023-07-06 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural basis of the histone ubiquitination read-write mechanism of RYBP-PRC1.
Nat.Struct.Mol.Biol., 31, 2024
|
|
5I95
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | | 分子名称: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | | 著者 | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | 登録日 | 2016-02-19 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
|
|
5I96
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | | 分子名称: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | | 著者 | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | 登録日 | 2016-02-19 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
|
|
2KE8
 | | NMR solution structure of metal-modified DNA | | 分子名称: | DNA (5'-D(*TP*TP*AP*AP*TP*TP*TP*(D33)P*(D33)P*(D33)P*AP*AP*AP*TP*TP*AP*A)-3'), SILVER ION | | 著者 | Johannsen, S, Duepre, N, Boehme, D, Mueller, J, Sigel, R.K.O. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a DNA double helix with consecutive metal-mediated base pairs.
Nat.Chem., 2, 2010
|
|
2M54
 | | Refined NMR solution structure of metal-modified DNA | | 分子名称: | DNA (5'-D(*TP*TP*AP*AP*TP*TP*TP*(D33)P*(D33)P*(D33)P*AP*AP*AP*TP*TP*AP*A)-3'), SILVER ION | | 著者 | Kumbhar, S, Johannsen, S, Sigel, R.K, Waller, M.P, Mueller, J. | | 登録日 | 2013-02-13 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A QM/MM refinement of an experimental DNA structure with metal-mediated base pairs.
J.Inorg.Biochem., 127, 2013
|
|
4MX9
 | | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | | 著者 | Merritt, E.A. | | 登録日 | 2013-09-26 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
|
|
7OTT
 | |
2WZJ
 | | Catalytic and UBA domain of kinase MARK2/(Par-1) K82R, T208E double mutant | | 分子名称: | SERINE/THREONINE-PROTEIN KINASE MARK2 | | 著者 | Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E. | | 登録日 | 2009-11-30 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.786 Å) | | 主引用文献 | Structure and Function of Polarity-Inducing Kinase Family Mark/Par-1 within the Branch of Ampk/Snf1-Related Kinases.
Faseb J., 24, 2010
|
|
6T89
 | | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
6T9U
 | | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.067509 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
