4LWQ
 
 | | Crystal structure of native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.38A resolution | | 分子名称: | GLYCEROL, Peptidyl-tRNA hydrolase | | 著者 | Kaushik, S, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2013-07-28 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Crystal structure of native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.38A resolution
To be Published
|
|
8SXX
 | | E. coli dodecamer SIR2 | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein | | 著者 | Shen, Z.F, Lin, Q.P, Fu, T.M. | | 登録日 | 2023-05-24 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
|
|
5FYT
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (N09996a) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid, CHLORIDE ION, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Pearce, N, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | 登録日 | 2016-03-09 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N09996A
To be Published
|
|
6MW1
 | |
4ILO
 | | 2.12A resolution structure of CT398 from Chlamydia trachomatis | | 分子名称: | 1,2-ETHANEDIOL, CT398, ZINC ION | | 著者 | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | | 登録日 | 2012-12-31 | | 公開日 | 2014-01-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | 2.12A resolution structure of CT398 from Chlamydia trachomatis
To be Published
|
|
3M01
 | | The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate | | 分子名称: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, ACETATE ION, Aristolochene synthase, ... | | 著者 | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | | 登録日 | 2010-03-02 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
|
|
6VHE
 | |
3M85
 | |
4PBV
 | | Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ... | | 著者 | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | | 登録日 | 2014-04-14 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
|
|
4LR9
 | | Phosphopentomutase S154A variant soaked with 2,3-dideoxyribose 5-phosphate | | 分子名称: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | 登録日 | 2013-07-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
|
|
3R2O
 | | 1.95 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 6.0) | | 分子名称: | Bacterioferritin, SODIUM ION, SULFATE ION | | 著者 | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | | 登録日 | 2011-03-14 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
|
|
4EPA
 | |
4P46
 | | J809.B5 Y31A TCR bound to IAb3K | | 分子名称: | 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J. | | 登録日 | 2014-03-11 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | | 主引用文献 | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity.
J Immunol., 192, 2014
|
|
6VE3
 | | Tetradecameric PilQ from Pseudomonas aeruginosa | | 分子名称: | Fimbrial assembly protein PilQ | | 著者 | McCallum, M, Tammam, S, Rubinstein, J.L, Burrows, L.L, Howell, P.L. | | 登録日 | 2019-12-28 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | CryoEM map of Pseudomonas aeruginosa PilQ enables structural characterization of TsaP.
Structure, 29, 2021
|
|
6JJ8
 | | Crystal structure of OsHXK6-ATP-Mg2+ complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | 登録日 | 2019-02-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
|
|
5NRM
 | | Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant | | 分子名称: | CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant, ... | | 著者 | Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D. | | 登録日 | 2017-04-24 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
J. Biol. Chem., 293, 2018
|
|
8E69
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorodimethyl oxybenzene inhibitor | | 分子名称: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-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 (2.26 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
|
|
6VGZ
 | | 2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d | | 分子名称: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide, Orf1a protein | | 著者 | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-01-09 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
|
|
6MYD
 | | Structure of zebrafish TRAF6 in complex with STING CTT | | 分子名称: | STING CTT, Transmembrane protein 173, SULFATE ION, ... | | 著者 | de Oliveira Mann, C.C, Orzalli, M.H, King, D.S, Kagan, J.C, Lee, A.S.Y, Kranzusch, P.J. | | 登録日 | 2018-11-01 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Modular Architecture of the STING C-Terminal Tail Allows Interferon and NF-kappa B Signaling Adaptation.
Cell Rep, 27, 2019
|
|
6V56
 | | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | | 著者 | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | 登録日 | 2019-12-03 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494
To Be Published
|
|
8E5X
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfinyl benzene inhibitor | | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | | 著者 | Lovell, S, Machen, A.J, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 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
|
|
3F6X
 | | c-Src kinase domain in complex with small molecule inhibitor | | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | | 著者 | Seeliger, M.A, Statsuk, A.V, Maly, D.J, Patrick, P.Z, Kuriyan, J, Shokat, K.M. | | 登録日 | 2008-11-06 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Tuning a three-component reaction for trapping kinase substrate complexes.
J.Am.Chem.Soc., 130, 2008
|
|
6BES
 | | Solution structure of de novo macrocycle design11_ss | | 分子名称: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | 登録日 | 2017-10-25 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
|
|
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
|
|
8E1A
 | | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | | 著者 | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | | 登録日 | 2022-08-10 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
|
|
