6O10
| E. coli cysteine desulfurase SufS | 分子名称: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Dunkle, J.A, Frantom, P.A. | 登録日 | 2019-02-17 | 公開日 | 2019-06-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues. J.Biol.Chem., 294, 2019
|
|
5RFP
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
|
|
3HPH
| Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | 分子名称: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | 著者 | Hare, S, Wang, J, Cherepanov, P. | 登録日 | 2009-06-04 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structural basis for functional tetramerization of lentiviral integrase Plos Pathog., 5, 2009
|
|
5RGQ
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | 分子名称: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
|
|
4UYF
| N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 分子名称: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
|
|
6TVB
| Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | 著者 | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | 登録日 | 2020-01-09 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
|
|
6U2G
| BRAF-MEK complex with AMP-PCP bound to BRAF | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | 登録日 | 2019-08-19 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | 主引用文献 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
|
|
6Z7J
| |
5LBA
| Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | 分子名称: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | 著者 | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-15 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea) To be published
|
|
6Z7H
| |
6Z7I
| |
6Z8Z
| Copper transporter OprC | 分子名称: | Putative copper transport outer membrane porin OprC | 著者 | Bhamidimarri, S.P, van den Berg, B. | 登録日 | 2020-06-02 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
3HQO
| |
6HYS
| Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | 登録日 | 2018-10-22 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
|
|
3HSW
| Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-methoxycyclohexa-2-5-diene-1,4-dione | 分子名称: | 2-methoxycyclohexa-2,5-diene-1,4-dione, CALCIUM ION, Phospholipase A2, ... | 著者 | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | 登録日 | 2009-06-11 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of porcine pancreatic phospholipase A2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione Frontiers in life sci., 2012
|
|
6Z7K
| Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam | 分子名称: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2020-05-31 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
|
|
6Z8Y
| Copper transporter OprC | 分子名称: | Putative copper transport outer membrane porin OprC | 著者 | Bhamidimarri, S.P, van den Berg, B. | 登録日 | 2020-06-02 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5KSP
| hMiro1 C-domain GDP Complex C2221 Crystal Form | 分子名称: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1 | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2016-07-08 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.162 Å) | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
|
|
6O9D
| Structure of the IRAK4 kinase domain with compound 5 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | 登録日 | 2019-03-13 | 公開日 | 2019-05-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
|
|
2LDX
| |
8TJ5
| Inner spoke ring of the yeast NPC | 分子名称: | Nucleoporin 59, Nucleoporin NIC96, Nucleoporin NSP1, ... | 著者 | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | 登録日 | 2023-07-20 | 公開日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | 主引用文献 | Implications of a multiscale structure of the yeast nuclear pore complex. Mol.Cell, 83, 2023
|
|
5XMS
| Plasmodium vivax SHMT bound with PLP-glycine and GS498 | 分子名称: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
|
|
6Z9N
| Copper transporter OprC | 分子名称: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | 著者 | Bhamidimarri, S.P, van den Berg, B. | 登録日 | 2020-06-04 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5XMP
| Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 | 分子名称: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
|
|
4WHB
| Crystal structure of phenylurea hydrolase B | 分子名称: | Phenylurea hydrolase B, ZINC ION | 著者 | Sugrue, E, Carr, P.D, Khurana, J.L, Jackson, C.J. | 登録日 | 2014-09-21 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.958 Å) | 主引用文献 | Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron. Appl.Environ.Microbiol., 81, 2015
|
|