6KPQ
 
 | | Crystal structure of Zika NS2B-NS3 protease with compound 8 | | 分子名称: | 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B | | 著者 | Quek, J.P. | | 登録日 | 2019-08-15 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
|
|
6KK3
 | | Crystal structure of Zika NS2B-NS3 protease with compound 4 | | 分子名称: | 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine, Genome polyprotein | | 著者 | Quek, J.P. | | 登録日 | 2019-07-23 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
|
|
1I7Z
 | | ANTIBODY GNC92H2 BOUND TO LIGAND | | 分子名称: | CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE | | 著者 | Larsen, N.A, Wilson, I.A. | | 登録日 | 2001-03-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a cocaine-binding antibody.
J.Mol.Biol., 311, 2001
|
|
15C8
 | | CATALYTIC ANTIBODY 5C8, FREE FAB | | 分子名称: | IGG 5C8 FAB (HEAVY CHAIN), IGG 5C8 FAB (LIGHT CHAIN) | | 著者 | Gruber, K, Wilson, I.A. | | 登録日 | 1998-03-18 | | 公開日 | 1999-03-23 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ligand-Induced Conformational Changes in a Catalytic Antibody: Comparison of the Bound and Unbound Structure of Fab 5C8
To be Published
|
|
4JBR
 | |
8B1P
 | |
8B3X
 | | High resolution crystal structure of dimeric SUDV VP40 | | 分子名称: | Matrix protein VP40 | | 著者 | Werner, A.-D, Norris, M, Saphire, E.O, Becker, S. | | 登録日 | 2022-09-17 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.531 Å) | | 主引用文献 | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
|
|
8B1O
 | |
1NCW
 | |
1ND0
 | |
4ZEA
 | | Endothiapepsin in complex with fragment B91 | | 分子名称: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-04-20 | | 公開日 | 2016-05-04 | | 最終更新日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
4ZE6
 | | Endothiapepsin in complex with fragment B39 | | 分子名称: | 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-04-20 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
1NJ9
 | | Cocaine hydrolytic antibody 15A10 | | 分子名称: | SODIUM ION, immunoglobulin heavy chain, immunoglobulin variable chain | | 著者 | Larsen, N.A, de Prada, P, Deng, S.X, Zhu, X, Landry, D.W, Wilson, I.A. | | 登録日 | 2002-12-30 | | 公開日 | 2004-02-17 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystallographic and biochemical analysis of cocaine-degrading antibody 15A10.
Biochemistry, 43, 2004
|
|
6T9V
 | | Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.12642729 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
6T9T
 | | Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein | | 著者 | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
6T9U
 | | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.067509 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
8AQK
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2258 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, SULFATE ION, Serine protease NS3, ... | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-08-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
|
|
8AQB
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2257 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, ACETATE ION, Serine protease NS3, ... | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
|
|
8AQA
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2260 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
|
|
4KUP
 | | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-05-22 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.311 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4LBT
 | | Endothiapepsin in complex with 100mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Radeva, N, Heine, A, Winquist, J, Klebe, G. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4LHH
 | | Endothiapepsin in complex with 2mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-07-01 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
1T4K
 | | Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab | | 分子名称: | IMMUNOGLOBULIN IGG1, HEAVY CHAIN, KAPPA LIGHT CHAIN, ... | | 著者 | Zhu, X, Wilson, I.A. | | 登録日 | 2004-04-29 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-directed Mutagenesis, and Computational Analysis
J.Mol.Biol., 343, 2004
|
|
3CFC
 | |
3CFB
 | |
