6M19
 
 | | Template lasso peptide C24 mutant W14F | | 分子名称: | lasso peptide | | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | 登録日 | 2020-02-25 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
|
|
4QEI
 | | Two distinct conformational states of GlyRS captured in crystal lattice | | 分子名称: | ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2 | | 著者 | Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q. | | 登録日 | 2014-05-16 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.875 Å) | | 主引用文献 | Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016
|
|
5CQR
 | | Dimerization of Elp1 is essential for Elongator complex assembly | | 分子名称: | Elongator complex protein 1 | | 著者 | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | | 登録日 | 2015-07-22 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.015 Å) | | 主引用文献 | Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5CQS
 | | Dimerization of Elp1 is essential for Elongator complex assembly | | 分子名称: | Elongator complex protein 1 | | 著者 | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | | 登録日 | 2015-07-22 | | 公開日 | 2015-08-19 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6O2Z
 | | Crystal structure of IDH1 R132H mutant in complex with compound 32 | | 分子名称: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Toms, A.V, Lin, J. | | 登録日 | 2019-02-25 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
|
|
6O2Y
 | | Crystal structure of IDH1 R132H mutant in complex with compound 24 | | 分子名称: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Toms, A.V, Lin, J. | | 登録日 | 2019-02-25 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
|
|
4TY9
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | 5-(trifluoromethyl)pyridin-2-amine, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-08 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
|
|
4TYB
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-08 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
|
|
4TYA
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | 4-(trifluoromethyl)benzoic acid, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-08 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
|
|
4TY8
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | 6-methyl-2H-chromen-2-one, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-08 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
|
|
4TXS
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | (4-hydroxyphenyl)acetonitrile, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
|
|
7EFR
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-23 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
|
|
7EFP
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
|
|
6TGV
 | | Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN | | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ... | | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | | 登録日 | 2019-11-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
|
|
8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8JZN
 | | Structure of a fungal 1,3-beta-glucan synthase | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | | 登録日 | 2023-07-05 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | | 主引用文献 | Structure of a fungal 1,3-beta-glucan synthase.
Sci Adv, 9, 2023
|
|
6THC
 | | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone | | 分子名称: | (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ... | | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | | 登録日 | 2019-11-19 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
|
|
6U4J
 | | Crystal structure of IDH1 R132H mutant in complex with FT-2102 | | 分子名称: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... | | 著者 | Toms, A.V, Lin, J. | | 登録日 | 2019-08-25 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
6U6Z
 | |
6TH2
 | | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | | 登録日 | 2019-11-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
|
|
6UMI
 | | Crystal structure of erenumab Fab-b | | 分子名称: | erenumab Fab heavy chain, IgG1, erenumab Fab light chain | | 著者 | Mohr, C. | | 登録日 | 2019-10-09 | | 公開日 | 2020-02-12 | | 最終更新日 | 2020-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
|
|
6UMH
 | | Crystal structure of erenumab Fab-a | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ... | | 著者 | Mohr, C. | | 登録日 | 2019-10-09 | | 公開日 | 2020-02-12 | | 最終更新日 | 2020-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
|
|
6UIP
 | |
4M59
 | | Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element | | 分子名称: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | | 著者 | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | | 登録日 | 2013-08-08 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
|
|
