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Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-16
公開日	2012-11-21
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.62 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

3UUZ

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-29
公開日	2012-12-05
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

3UNS

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-16
公開日	2012-11-21
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

3UOP

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	CALCIUM ION, CHLORIDE ION, Cationic trypsin, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-17
公開日	2012-11-21
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.69 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

5ZOB

Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide
分子名称:	4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide, NS3 protease, Serine protease subunit NS2B
著者	Phoo, W.W, Wirawan, M.
登録日	2018-04-12
公開日	2018-10-17
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors. Antiviral Res., 160, 2018

3UQO

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-21
公開日	2012-11-21
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

5ZMQ

Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
分子名称:	Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
著者	Phoo, W.W, Wirawan, M.
登録日	2018-04-05
公開日	2018-10-17
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.987 Å)
主引用文献	Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors. Antiviral Res., 160, 2018

3V12

Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
分子名称:	CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-12-09
公開日	2012-12-12
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

3UQV

Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称:	3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-11-21
公開日	2012-11-21
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

5ZMS

Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
分子名称:	4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
著者	Phoo, W.W, Wirawan, M.
登録日	2018-04-05
公開日	2018-10-17
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors. Antiviral Res., 160, 2018

3UY9

Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
分子名称:	BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-12-06
公開日	2012-12-12
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (3.22 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

3V13

Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
分子名称:	3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ...
著者	Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日	2011-12-09
公開日	2012-12-12
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.63 Å)
主引用文献	Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

6HLD

X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)3-Lys]-Lys-4-Amba
分子名称:	ALN-ARG-ARG-ARG-SLL-LYS-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-09-11
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HZA

X-ray structure of furin in complex with the cyclic peptide c[glutaryl-Arg-Arg-Lys]-Arg-4-Amba
分子名称:	ARG-ARG-LYS-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-10-23
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HLB

X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-4-Amba
分子名称:	CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Dahms, S.O.
登録日	2018-09-11
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HLE

X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba
分子名称:	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-09-11
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.994 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HZD

X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Arg-Lys]-Arg-4-Amba
分子名称:	ARG-ARG-ARG-LYS-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-10-23
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HZB

X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Lys]-Lys-4-Amba
分子名称:	ARG-ARG-LYS-LYS-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-10-23
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6HZC

X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-BVK-Lys-Arg-Arg-Tle-Lys]-4-Amba
分子名称:	2-[4-(aminomethyl)phenyl]ethanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2018-10-23
公開日	2019-02-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019

6EQX

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Arg-Arg-Arg-Val-Arg-Amba
分子名称:	Arg-Arg-Arg-Val-Arg-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O, Than, M.E.
登録日	2017-10-16
公開日	2018-02-28
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.994 Å)
主引用文献	X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. Biochemistry, 57, 2018

6EQW

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor 4-aminomethyl-phenylacetyl-Arg-Val-Arg-Amba
分子名称:	AMA-ARG-TBG-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O, Than, M.E.
登録日	2017-10-16
公開日	2018-02-28
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.994 Å)
主引用文献	X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. Biochemistry, 57, 2018

6EQV

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba
分子名称:	CALCIUM ION, CHLORIDE ION, Furin, ...
著者	Dahms, S.O, Than, M.E.
登録日	2017-10-16
公開日	2018-02-28
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.895 Å)
主引用文献	X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. Biochemistry, 57, 2018

6YD7

X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba
分子名称:	4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2020-03-20
公開日	2021-02-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin. Acs Med.Chem.Lett., 12, 2021

6YD4

X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba
分子名称:	4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O.
登録日	2020-03-20
公開日	2021-02-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin. Acs Med.Chem.Lett., 12, 2021

6YDY

Cationic Trypsin in Complex with a D-Phe-Pro-benzylamine derivative
分子名称:	(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin
著者	Ngo, K, Heine, A, Klebe, G.
登録日	2020-03-21
公開日	2021-03-31
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Cationic Trypsin in Complex with a D-Phe-Pro-benzylamine derivative To Be Published

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表示件数:	25
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