Zobrazeno 1 - 10
of 134
pro vyhledávání: '"E. KLEI"'
Autor:
Dennis Hernandez, Ramkumar Rajamani, Rongti Li, Jacques Friborg, Fiona McPhee, Nicholas A. Meanwell, Kathy Mosure, Ying-Kai Wang, Jay O. Knipe, Fei Yu, Herbert E. Klei, Bowsher Michael S, Paul Michael Scola, Alan X. Wang, Sheldon Hiebert
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 28:43-48
Naphthalene-linked P2-P4 macrocycles within a tri-peptide-based acyl sulfonamide chemotype have been synthesized and found to inhibit HCV NS3 proteases representing genotypes 1a and 1b with single digit nanomolar potency. The pharmacokinetic profile
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ebf9908b4ab9994153667ba9b390dad
https://doi.org/10.1016/j.bmcl.2017.11.005
https://doi.org/10.1016/j.bmcl.2017.11.005
Autor:
E. Koncina, M. Nurmik, V. I. Pozdeev, C. Gilson, M. Tsenkova, R. Begaj, S. Stang, A. Gaigneaux, C. Weindorfer, F. Rodriguez, M. Schmoetten, E. Klein, J. Karta, V. S. Atanasova, K. Grzyb, P. Ullmann, R. Halder, M. Hengstschläger, J. Graas, V. Augendre, Y. E. Karapetyan, L. Kerger, N. Zuegel, A. Skupin, S. Haan, J. Meiser, H. Dolznig, E. Letellier
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-17 (2023)
Abstract Fibroblasts have a considerable functional and molecular heterogeneity and can play various roles in the tumor microenvironment. Here we identify a pro-tumorigenic IL1R1+, IL-1-high-signaling subtype of fibroblasts, using multiple colorectal
Externí odkaz:
https://doaj.org/article/82addcedbdd2496da008d9fb3de1053a
Publikováno v:
The Cryosphere, Vol 17, Pp 2585-2606 (2023)
Antarctica's ice shelves resist the flow of grounded ice towards the ocean through “buttressing” arising from their contact with ice rises, rumples, and lateral margins. Ice shelf thinning and retreat reduce buttressing, leading to increased deli
Externí odkaz:
https://doaj.org/article/a04785557ef04f67a2171c399ecdd62d
Autor:
Alan Xiangdong Wang, Andrew C. Good, Fei Yu, Peter Hrnciar, Herbert E. Klei, Manjula Paruchuri, Fiona McPhee, Dennis Hernandez, Paul Falk, Jeffrey Tredup, Amy K. Sheaffer, Qi Gao, Barbara Zheng, Kevin Kish, Kathy Mosure, Stanley D'andrea, Ramkumar Rajamani, Alicia Ng, Jay O. Knipe, Yan Chen, Li-Qiang Sun, Jacques Friborg, Paul Michael Scola, Arvind Mathur, Nicholas A. Meanwell, Richard Rampulla
The design and synthesis of potent, tripeptidic acylsulfonamide inhibitors of HCV NS3 protease that contain a difluoromethyl cyclopropyl amino acid at P1 are described. A cocrystal structure of 18 with a NS3/4A protease complex suggests the presence
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::deb2005e8a0764575ac7a4f49607aedd
https://europepmc.org/articles/PMC5807875/
https://europepmc.org/articles/PMC5807875/
Autor:
Dorothee Liebschner, Pavel V. Afonine, Nathaniel Echols, Jeffrey J. Headd, Nigel W. Moriarty, Paul D. Adams, Billy K. Poon, Herbert E. Klei
Publikováno v:
Protein science : a publication of the Protein Society, vol 27, iss 1
Moriarty, NW; Liebschner, D; Klei, HE; Echols, N; Afonine, PV; Headd, JJ; et al.(2018). Interactive comparison and remediation of collections of macromolecular structures. Protein Science, 27(1), 182-194. doi: 10.1002/pro.3296. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/4wx6r55p
Moriarty, NW; Liebschner, D; Klei, HE; Echols, N; Afonine, PV; Headd, JJ; et al.(2018). Interactive comparison and remediation of collections of macromolecular structures. Protein Science, 27(1), 182-194. doi: 10.1002/pro.3296. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/4wx6r55p
© 2017 The Protein Society Often similar structures need to be compared to reveal local differences throughout the entire model or between related copies within the model. Therefore, a program to compare multiple structures and enable correction any
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ea9c822beedde558e0bf690299f3898
https://escholarship.org/uc/item/4wx6r55p
https://escholarship.org/uc/item/4wx6r55p
Autor:
Mark F. Russo, Morgan Fine-Morris, Stephen Michalczyk, Kevin Kish, Cristina Cabrera, Matthew Pokross, Herbert E. Klei, Matthew Cahn
Publikováno v:
SLAS Technology. 19:517-527
A scheduler has been developed for an integrated laboratory robot system that operates in an always-on mode. The integrated system is designed for imaging plates containing protein crystallization experiments, and it allows crystallographers to enter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3c9a4978f54c2b53a5823c201ca6628
https://doi.org/10.1177/2211068214546493
https://doi.org/10.1177/2211068214546493
Autor:
Danshi Li, Herbert E. Klei, Sing-Yuen Sit, Piyasena Hewawasam, Ny Sin, Brian Lee Venables, Paul Levesque, Qi Gao, Bilder Donna M, Dennis M. Grasela, Dennis Hernandez, Anthony J. Cocuzza, Amy K. Sheaffer, Richard J. Colonno, Jeffrey Tredup, Kathy Mosure, Stanley D'andrea, Jialong Zhu, Lucy Sun, Fei Yu, Paul Falk, Alan Xiangdong Wang, Steven Levine, Fiona McPhee, Andrew C. Good, Huabin Sun, Jay O. Knipe, Barbara Zheng, Richard Schartman, Nicholas A. Meanwell, Jie Chen, Maria Donoso, James Loy, Guangzhi Zhai, Ramkumar Rajamani, Li-Qiang Sun, Stephen P. Adams, Luciano Mueller, Tatyana Zvyaga, Yong Tu, Hong Shi, Paul Michael Scola, Chaoqun Chen, William Warner, Yan Chen, Yong-Hae Han, Diana Barry, Jacques Friborg, Kevin Kish, Michael Sinz
Publikováno v:
Journal of Medicinal Chemistry. 57:1730-1752
The discovery of asunaprevir (BMS-650032, 24) is described. This tripeptidic acylsulfonamide inhibitor of the NS3/4A enzyme is currently in phase III clinical trials for the treatment of hepatitis C virus infection. The discovery of 24 was enabled by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2de12395392456b92810af925e724113
https://doi.org/10.1021/jm500297k
https://doi.org/10.1021/jm500297k
Autor:
Alan Xiangdong Wang, Barbara Zheng, Min S. Lee, Dennis Hernandez, Andrew C. Good, Stanley D'andrea, Amy K. Sheaffer, Fiona McPhee, Christoph Gesenberg, Sing-Yuen Sit, Ny Sin, Paul Falk, Danshi Li, Piyasena Hewawasam, Yan Chen, Yong-Hae Han, Paul Levesque, Brian Lee Venables, Nicholas A. Meanwell, Michael Sinz, Wenying Li, Qi Gao, Li-Qiang Sun, Jay O. Knipe, Chaoqun Chen, Caly Chien, Diana Barry, Guangzhi Zhai, Anthony J. Cocuzza, Tatyana Zvyaga, Stephen P. Adams, Jialong Zhu, Fei Yu, Dennis M. Grasela, Richard J. Colonno, Yong Tu, Ramkumar Rajamani, Herbert E. Klei, Jianqing Li, Min Ding, Jan Willem Thuring, Jie Chen, Susan Jenkins, Keith D. Combrink, Jeffrey Allen Campbell, Kenneth S. Santone, Paul Michael Scola, Eric Hughes, Bilder Donna M
Publikováno v:
Journal of Medicinal Chemistry. 57:1708-1729
The discovery of BMS-605339 (35), a tripeptidic inhibitor of the NS3/4A enzyme, is described. This compound incorporates a cyclopropylacylsulfonamide moiety that was designed to improve the potency of carboxylic acid prototypes through the introducti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4bf8154b804898acc5dffe118ba07d84
https://doi.org/10.1021/jm401840s
https://doi.org/10.1021/jm401840s
Autor:
J. Kerski, H. Mannel, P. Lochner, E. Kleinherbers, A. Kurzmann, A. Ludwig, A. D. Wieck, J. König, A. Lorke, M. Geller
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-8 (2023)
Abstract Single electron tunneling and its transport statistics have been studied for some time using high precision charge detectors. However, this type of detection requires advanced lithography, optimized material systems and low temperatures (mK)
Externí odkaz:
https://doaj.org/article/9bc0b3a514704a78a6c4b52435c5d59c
Autor:
Eric T. Baldwin, Nigel W. Moriarty, Matt Pokross, Herbert E. Klei, Thomas C. Terwilliger, Nathaniel Echols, Shana L. Posy, Paul D. Adams
Publikováno v:
Acta Crystallographica Section D: Biological Crystallography
A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available.
The process of iterative structure-based drug design involve
The process of iterative structure-based drug design involve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60e363106caf38d1e10c065ba508adca
https://doi.org/10.1107/s1399004713030071
https://doi.org/10.1107/s1399004713030071