8E6A
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorophenylethanol based inhibitor | | 分子名称: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
|
|
6QX8
 | | Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter | | 分子名称: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ... | | 著者 | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | | 登録日 | 2019-03-07 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
|
|
4B7Z
 | | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | 登録日 | 2012-08-24 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
|
|
6QYG
 | |
4AV2
 | | Single particle electron microscopy of PilQ dodecameric complexes from Neisseria meningitidis. | | 分子名称: | PILP PROTEIN, TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ | | 著者 | Berry, J.L, Phelan, M.M, Collins, R.F, Adomavicius, T, Tonjum, T, Frye, S.A, Bird, L, Owens, R, Ford, R.C, Lian, L.Y, Derrick, J.P. | | 登録日 | 2012-05-23 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (26 Å) | | 主引用文献 | Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis.
Plos Pathog., 8, 2012
|
|
8E5Z
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor | | 分子名称: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
|
|
6QYK
 | | Structure of MBP-Mcl-1 in complex with compound 7a | | 分子名称: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
|
|
2HD3
 | | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | | 分子名称: | Ethanolamine utilization protein eutN | | 著者 | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-06-19 | | 公開日 | 2006-08-15 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
|
|
6QZ6
 | | Structure of Mcl-1 in complex with compound 8b | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
|
|
4ARS
 | | Hafnia Alvei phytase apo form | | 分子名称: | ACETATE ION, GLYCEROL, HISTIDINE ACID PHOSPHATASE | | 著者 | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | | 登録日 | 2012-04-26 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
|
|
6QYN
 | | Structure of MBP-Mcl-1 in complex with compound 10d | | 分子名称: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
|
|
6QM6
 | | Cryo-EM structure of calcium-free nhTMEM16 lipid scramblase in DDM | | 分子名称: | Predicted protein | | 著者 | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | 登録日 | 2019-02-01 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
|
|
6QXE
 | | Influenza A virus (A/NT/60/1968) polymerase dimer of hetermotrimer in complex with 3'5' cRNA promoter and Nb8205 | | 分子名称: | Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ... | | 著者 | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | | 登録日 | 2019-03-07 | | 公開日 | 2019-09-04 | | 最終更新日 | 2020-11-18 | | 実験手法 | ELECTRON MICROSCOPY (4.15 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
|
|
6QYF
 | |
6ARX
 | | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | | 著者 | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | | 登録日 | 2017-08-23 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
|
|
6QMA
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (intermediate state) | | 分子名称: | CALCIUM ION, Predicted protein | | 著者 | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | 登録日 | 2019-02-01 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
|
|
8F6X
 | | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MPE8 Single chain variable fragment, Structurally designed HMPV F protein HMPV_v3B_D12_DS454,Fibritin | | 著者 | Zhou, T, Kwong, P.D, Morano, N.C, Ou, L. | | 登録日 | 2022-11-17 | | 公開日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8
To Be Published
|
|
6QN3
 | |
3ZIF
 | | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | | 分子名称: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | | 著者 | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | | 登録日 | 2013-01-09 | | 公開日 | 2014-01-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates
Virology, 450, 2014
|
|
6QNV
 | | Fibrinogen-like globe domain of Human Tenascin-C | | 分子名称: | Tenascin | | 著者 | Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | | 登録日 | 2019-02-12 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
|
|
3ZGP
 | | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG | | 著者 | Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | | 登録日 | 2012-12-18 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013
|
|
3ZS2
 | | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | | 分子名称: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | 著者 | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | | 登録日 | 2011-06-21 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
|
|
6AO5
 | | Crystal structure of human MST2 in complex with SAV1 SARAH domain | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein salvador homolog 1, ... | | 著者 | Tomchick, D.R, Luo, X, Ni, L. | | 登録日 | 2017-08-15 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.955 Å) | | 主引用文献 | SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
|
|
8EM8
 | | Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165 | | 分子名称: | UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ... | | 著者 | Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2022-09-27 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
To Be Published
|
|
6QYO
 | | Structure of MBP-Mcl-1 in complex with compound 18a | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
|
|
