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Crystal Structure of Intracellular B30.2 Domain of BTN3A1 in Complex with CHDMAPP
分子名称:	Butyrophilin subfamily 3 member A1, GLYCEROL, [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
著者	Sandstrom, A, Adams, E.J.
登録日	2013-10-16
公開日	2014-04-23
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.4598 Å)
主引用文献	The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells. Immunity, 40, 2014

4N7I

Crystal Structure of Intracellular B30.2 Domain of BTN3A1
分子名称:	BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, CHLORIDE ION, ...
著者	Sandstrom, A, Adams, E.J.
登録日	2013-10-15
公開日	2014-04-23
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.4015 Å)
主引用文献	The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells. Immunity, 40, 2014

4F80

Crystal Structure of the human BTN3A1 ectodomain
分子名称:	Butyrophilin subfamily 3 member A1
著者	Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日	2012-05-16
公開日	2012-08-08
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.944 Å)
主引用文献	The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012

4F9P

Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody
分子名称:	103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
著者	Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日	2012-05-19
公開日	2012-08-08
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (3.519 Å)
主引用文献	The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012

4F8Q

Crystal Structure of the Human BTN3A2 Ectodomain
分子名称:	Butyrophilin subfamily 3 member A2
著者	Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日	2012-05-17
公開日	2012-08-08
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.3789 Å)
主引用文献	The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012

1TAN

TANDEM DNA, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称:	DNA (5'-D(PCPAPGPC)-3'), DNA (5'-D(PTPCPCPA)-3'), DNA (5'-D(PTPGPGPAPGPCPTPG)-3')
著者	Denisov, A, Sandstrom, A, Maltseva, T, Pyshnyi, D, Ivanova, E, Zarytova, V, Chattopadhyaya, J.
登録日	1997-06-17
公開日	1997-09-17
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	The NMR structure of estrone (Es)-tethered tandem DNA duplex: [d(5'pCAGCp3')-Es] + [Es-d(5'pTCCA3')]: d(5'pTGGAGCTG3'). J.Biomol.Struct.Dyn., 15, 1997

2DAU

DICKERSON-DREW DNA DODECAMER, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称:	DNA (5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3')
著者	Denisov, A, Bekiroglu, S, Maltseva, T, Sandstrom, A, Altmann, K.-H, Egli, M, Chattopadhyaya, J.
登録日	1998-01-20
公開日	1998-05-27
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	The solution conformation of a carbocyclic analog of the Dickerson-Drew dodecamer: comparison with its own X-ray structure and that of the NMR structure of the native counterpart. J.Biomol.Struct.Dyn., 16, 1998

3PGF

Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB)
分子名称:	GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ...
著者	Kossiakoff, A.A, Duguid, E.M, Sandstrom, A.
登録日	2010-11-01
公開日	2011-03-09
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins. Nat.Struct.Mol.Biol., 18, 2011

3GD8

Crystal Structure of Human Aquaporin 4 at 1.8 and its Mechanism of Conductance
分子名称:	Aquaporin-4, GLYCEROL, octyl beta-D-glucopyranoside
著者	Ho, J.D, Yeh, R, Sandstrom, A, Chorny, I, Harries, W.E.C, Robbins, R.A, Miercke, L.J.W, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
登録日	2009-02-23
公開日	2009-03-31
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystal structure of human aquaporin 4 at 1.8 A and its mechanism of conductance. Proc.Natl.Acad.Sci.USA, 106, 2009

1FOV

GLUTAREDOXIN 3 FROM ESCHERICHIA COLI IN THE FULLY OXIDIZED FORM
分子名称:	GLUTAREDOXIN 3
著者	Nordstrand, K, Sandstrom, A, Aslund, F, Holmgren, A, Otting, G, Berndt, K.D.
登録日	2000-08-29
公開日	2000-10-26
最終更新日	2022-02-23
実験手法	SOLUTION NMR
主引用文献	NMR structure of oxidized glutaredoxin 3 from Escherichia coli. J.Mol.Biol., 303, 2000

4F8T

Crystal Structure of the Human BTN3A3 Ectodomain
分子名称:	Butyrophilin subfamily 3 member A3
著者	Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日	2012-05-17
公開日	2012-08-08
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.382 Å)
主引用文献	The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012

4F9L

Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
著者	Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日	2012-05-18
公開日	2012-08-08
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (3.1404 Å)
主引用文献	The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012

1DAU

Analog of dickerson-drew DNA dodecamer with 6'-alpha-methyl carbocyclic thymidines, NMR, minimized average structure
分子名称:	DNA (5'-D(CPGPCPGPAPAP(T32)P(T32)PCPGPCPG)-3')
著者	Denisov, A, Bekiroglu, S, Maltseva, T, Sandstrom, A, Altmann, K.-H, Egli, M, Chattopadhyaya, J.
登録日	1998-01-21
公開日	1998-05-27
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	The solution conformation of a carbocyclic analog of the Dickerson-Drew dodecamer: comparison with its own X-ray structure and that of the NMR structure of the native counterpart. J.Biomol.Struct.Dyn., 16, 1998

1ESS

STEROID TETHERED DNA, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称:	DNA (5'-D(PCPAPGPC)-3'), DNA (5'-D(PTPCPCPA)-3'), DNA (5'-D(PTPGPGPAPGPCPTPG)-3'), ...
著者	Denisov, A, Sandstrom, A, Maltseva, T, Pyshnyi, D, Ivanova, E, Zarytova, V, Chattopadhyaya, J.
登録日	1997-06-17
公開日	1997-09-17
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	The NMR structure of estrone (Es)-tethered tandem DNA duplex: [d(5'pCAGCp3')-Es] + [Es-d(5'pTCCA3')]: d(5'pTGGAGCTG3'). J.Biomol.Struct.Dyn., 15, 1997

7BIJ

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13
分子名称:	(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2021-01-12
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.47 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7QBB

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18
分子名称:	3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2021-11-18
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7NEO

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15
分子名称:	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2021-02-04
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.64 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7NBT

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21
分子名称:	2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2021-01-27
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.63 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7O46

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
分子名称:	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
著者	Talibov, V.O.
登録日	2021-04-05
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.23 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7B2U

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1
分子名称:	(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2020-11-27
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7B77

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8
分子名称:	2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2020-12-09
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7B5Z

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6
分子名称:	2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2020-12-07
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7AU4

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3
分子名称:	(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者	Talibov, V.O.
登録日	2020-11-02
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.82 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7B2J

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5
分子名称:	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者	Talibov, V.O.
登録日	2020-11-27
公開日	2022-02-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022

7PFM

A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution
分子名称:	N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab
著者	Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J.
登録日	2021-08-11
公開日	2022-08-24
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published

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