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Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称:	GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者	Liu, Y, Ruan, K.
登録日	2021-09-30
公開日	2022-10-05
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Fragment-Based Discovery of AF9 YEATS Domain Inhibitors. Int J Mol Sci, 23, 2022

7VKG

Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称:	1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者	Liu, Y, Ruan, K.
登録日	2021-09-29
公開日	2022-10-05
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.83 Å)
主引用文献	Fragment-Based Discovery of AF9 YEATS Domain Inhibitors. Int J Mol Sci, 23, 2022

7W26

monolignol ferulate transferase
分子名称:	Ferulate monolignol transferase
著者	Xi, L, Shuliu, D, Yue, F, Yi, Z.
登録日	2021-11-22
公開日	2022-03-30
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (2.43 Å)
主引用文献	Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates. Biochem.Biophys.Res.Commun., 594, 2022

3SRU

S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称:	Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者	Hilgers, M.
登録日	2011-07-07
公開日	2011-08-31
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011

8TXH

Crystal structure of KRAS G12D in complex with GDP and compound 14
分子名称:	(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者	Chen, P, Irimia, A, Yang, Z.
登録日	2023-08-23
公開日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023

8TXG

Crystal structure of KRAS G12D in complex with GDP and compound 8
分子名称:	(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者	Chen, P, Irimia, A, Yang, Z.
登録日	2023-08-23
公開日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023

8TXE

Crystal structure of KRAS G12D in complex with GDP and compound 5
分子名称:	(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者	Chen, P, Irimia, A, Yang, Z.
登録日	2023-08-23
公開日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.35 Å)
主引用文献	Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023

8VAW

Magnesium catalyzed primer extension product with 14mer primer and mixed phosphorothioate activated G monomer
分子名称:	2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Magnesium catalyzed nonenzymatic RNA primer extension product
著者	Fang, Z, Szostak, J.W.
登録日	2023-12-11
公開日	2024-04-17
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J.Am.Chem.Soc., 146, 2024

8VAX

Cadmium catalyzed primer extension product with 14mer primer and mixed phosphorothioate activated G monomer
分子名称:	2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Cadmium catalyzed nonenzymatic RNA primer extension product, MAGNESIUM ION
著者	Fang, Z, Szostak, J.W.
登録日	2023-12-11
公開日	2024-04-17
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.417 Å)
主引用文献	Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J.Am.Chem.Soc., 146, 2024

8UQP

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-24
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (3.8 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8UQL

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH in loaded state, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-24
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (3.2 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8UQM

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH in loaded state, NusA, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-24
公開日	2024-05-29
最終更新日	2024-10-16
実験手法	ELECTRON MICROSCOPY (5.3 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8URH

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 27 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-26
公開日	2024-05-29
最終更新日	2024-10-16
実験手法	ELECTRON MICROSCOPY (5.7 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8UPO

Escherichia coli transcription-translation coupled complex class A (TTC-A) containing RfaH bound to ops signal, mRNA with a 21 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-23
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (5.5 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8URX

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 30 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-27
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (6.6 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8URI

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 27 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-26
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (5.3 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8UPR

Escherichia coli transcription-translation coupled complex class A (TTC-A) containing RfaH bound to ops signal, mRNA with a 21 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-23
公開日	2024-05-29
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (5.3 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8UR0

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-25
公開日	2024-05-29
最終更新日	2024-09-25
実験手法	ELECTRON MICROSCOPY (3.4 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

8URY

Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 30 nt long spacer, and fMet-tRNA in E-site and P-site of the ribosome
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S11, ...
著者	Molodtsov, V, Wang, C, Ebright, R.H.
登録日	2023-10-27
公開日	2024-06-12
最終更新日	2024-08-28
実験手法	ELECTRON MICROSCOPY (3.1 Å)
主引用文献	Structural basis of RfaH-mediated transcription-translation coupling. Nat.Struct.Mol.Biol., 2024

3U9Q

Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
分子名称:	DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
著者	Malapaka, V.R, Xu, H.E.
登録日	2011-10-19
公開日	2011-11-09
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (1.522 Å)
主引用文献	Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors. J.Biol.Chem., 287, 2012

8SIJ

Crystal structure of F. varium tryptophanase
分子名称:	CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
著者	Graboski, A.L, Redinbo, M.R.
登録日	2023-04-16
公開日	2023-08-23
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023

8SL7

Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
分子名称:	(E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
著者	Graboski, A.L, Redinbo, M.R.
登録日	2023-04-21
公開日	2023-08-23
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.07 Å)
主引用文献	Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023

7YH8

Crystal structure of a heterochiral protein complex
分子名称:	D-Pep-1, L-19437
著者	Liang, M, Li, S, Wang, T, Liu, L, Lu, P.
登録日	2022-07-13
公開日	2023-07-19
最終更新日	2024-09-25
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Accurate de novo design of heterochiral protein-protein interactions Cell Res., 2024

7KOV

Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
分子名称:	CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
著者	Kiser, P.D.
登録日	2020-11-10
公開日	2021-03-03
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.95 Å)
主引用文献	Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center. J.Biol.Chem., 296, 2021

7LUR

Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
分子名称:	Immunoglobulin heavy constant gamma 1, Mini Z domain
著者	Sudom, A, Garces, F, Wang, Z.
登録日	2021-02-23
公開日	2021-09-15
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Next generation Fc scaffold for multispecific antibodies. Iscience, 24, 2021

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