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Crystal structure of nanobody VHH-T71 with MERS-CoV RBD
分子名称:	Spike protein S1, VHH-T71, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者	Wang, X, Tian, L.
登録日	2023-02-13
公開日	2024-02-28
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.901 Å)
主引用文献	Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity To Be Published

8IEE

Crystal structure of nanobody VHH-31 with MERS-CoV RBD
分子名称:	Spike protein S1, VHH-31
著者	Wang, X, Tian, L.
登録日	2023-02-15
公開日	2024-02-28
最終更新日	2024-11-20
実験手法	X-RAY DIFFRACTION (3.21 Å)
主引用文献	Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein To Be Published

6J1L

Crystal Structure Analysis of the ROR gamma(C455E)
分子名称:	2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma
著者	zhang, Y, Li, C.C, wu, X.S.
登録日	2018-12-28
公開日	2019-05-01
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer. J.Med.Chem., 62, 2019

7VWV

The crystal structure of African swine fever virus I73R
分子名称:	I73R
著者	Shen, Z, Liang, R.
登録日	2021-11-11
公開日	2022-11-16
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.59 Å)
主引用文献	African swine fever virus I73R is a critical virulence-related gene: A potential target for attenuation. Proc.Natl.Acad.Sci.USA, 120, 2023

5Z0S

Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
分子名称:	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
著者	Liu, Q, Xu, Y.
登録日	2017-12-20
公開日	2018-12-26
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors Molecules, 23, 2018

6PCR

E. coli 50S ribosome bound to compound 40o
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-18
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.5 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PC5

E. coli 50S ribosome bound to compounds 46 and VS1
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-16
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.7 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PCS

E. coli 50S ribosome bound to compound 40e
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-18
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.8 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PCT

E. coli 50S ribosome bound to compound 41q
分子名称:	(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-18
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.8 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PCQ

E. coli 50S ribosome bound to VM2
分子名称:	(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-18
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.6 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PC6

E. coli 50S ribosome bound to compound 47
分子名称:	(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-16
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.5 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

7WAA

Crystal structure of MCR-1-S treated by AgNO3
分子名称:	Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION
著者	Zhang, Q, Wang, M, Sun, H.
登録日	2021-12-13
公開日	2022-03-16
最終更新日	2024-11-06
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver. Proc.Natl.Acad.Sci.USA, 119, 2022

6PCH

E. coli 50S ribosome bound to compound 21
分子名称:	(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-17
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.9 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PC7

E. coli 50S ribosome bound to compound 46
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-16
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.5 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PC8

E. coli 50S ribosome bound to compound 40q
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者	Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日	2019-06-16
公開日	2020-06-17
最終更新日	2024-12-25
実験手法	ELECTRON MICROSCOPY (2.9 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

6PV9

Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction
分子名称:	Programmed cell death 1 ligand 1, macrocyclic peptide
著者	Appleby, T.C, Lad, L, Gross, M.L.
登録日	2019-07-19
公開日	2020-01-01
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Protein Footprinting and X-ray Crystallography Reveal the Interaction of PD-L1 and a Macrocyclic Peptide. Biochemistry, 59, 2020

8ZB0

Cryo-EM structure of human ZnT1
分子名称:	Proton-coupled zinc antiporter SLC30A1, ZINC ION
著者	Sun, S, Xie, E, Xu, S, Ji, S.
登録日	2024-04-25
公開日	2025-03-12
実験手法	ELECTRON MICROSCOPY (3.7 Å)
主引用文献	The Intestinal Transporter SLC30A1 Plays a Critical Role in Regulating Systemic Zinc Homeostasis. Adv Sci, 11, 2024

7E23

SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
著者	Liu, C, Song, D, Dou, C.
登録日	2021-02-04
公開日	2021-05-05
最終更新日	2025-07-02
実験手法	ELECTRON MICROSCOPY (3.3 Å)
主引用文献	Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2. Commun Biol, 4, 2021

5Z1T

Crystal Structure Analysis of the BRD4(1)
分子名称:	1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者	Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日	2017-12-28
公開日	2019-01-02
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.42 Å)
主引用文献	Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018

5Z1S

Crystal Structure Analysis of the BRD4(1)
分子名称:	1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者	Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日	2017-12-28
公開日	2019-01-02
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.42 Å)
主引用文献	Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018

5Z1R

Crystal Structure Analysis of the BRD4
分子名称:	1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者	Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日	2017-12-28
公開日	2019-01-02
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.62 Å)
主引用文献	Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018

6X3C

Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)
分子名称:	(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ...
著者	Chaires, H.A, Fraser, J.S.
登録日	2020-05-21
公開日	2020-11-18
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (3.05 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

7BWJ

crystal structure of SARS-CoV-2 antibody with RBD
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者	Wang, X, Ge, J.
登録日	2020-04-14
公開日	2020-06-03
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (2.85 Å)
主引用文献	Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020

6X3J

Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46)
分子名称:	(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ...
著者	Chaires, H.A, Fraser, J.S.
登録日	2020-05-21
公開日	2020-11-18
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020

4XE0

Idelalisib bound to the p110 subunit of PI3K delta
分子名称:	5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者	Somoza, J.R, Villasenor, A.
登録日	2014-12-20
公開日	2015-02-04
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.434 Å)
主引用文献	Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta. J.Biol.Chem., 290, 2015

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