7ZUM
 
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2130 | | 分子名称: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-05-12 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
|
|
7ZV4
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2195 | | 分子名称: | 1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-05-13 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
|
|
7ZVV
 | |
7ZW5
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2259 | | 分子名称: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Huber, S, Steinmetzer, T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.38 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
|
|
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
|
|
7PQU
 | | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | | 分子名称: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-02-15 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
|
|
7PQT
 | | Apo human Kv3.1 cryo-EM structure | | 分子名称: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-02-15 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
|
|
6T89
 | | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
|
|
6T8A
 | | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
|
|
6TH3
 | |
6TGY
 | |
6T13
 | | CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M. | | 登録日 | 2019-10-03 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7ABK
 | | Helical structure of PspA | | 分子名称: | Chloroplast membrane-associated 30 kD protein | | 著者 | Junglas, B, Huber, S.T, Mann, D, Heidler, T, Clarke, M, Schneider, D, Sachse, C. | | 登録日 | 2020-09-07 | | 公開日 | 2021-08-04 | | 最終更新日 | 2021-08-11 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | PspA adopts an ESCRT-III-like fold and remodels bacterial membranes.
Cell, 184, 2021
|
|
3S3X
 | | Structure of chicken acid-sensing ion channel 1 AT 3.0 A resolution in complex with psalmotoxin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, neuronal, ... | | 著者 | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | | 登録日 | 2011-05-18 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1.
Nat Commun, 3, 2012
|
|
3S3W
 | | Structure of chicken acid-sensing ion channel 1 at 2.6 a resolution and ph 7.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, ... | | 著者 | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | | 登録日 | 2011-05-18 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1.
Nat Commun, 3, 2012
|
|
2BME
 | |
2BMD
 | |
