7LE2
 
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
|
|
7LDZ
 | | HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.861 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
|
|
5TCY
 | | A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni. | | 分子名称: | Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) | | 著者 | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | | 登録日 | 2016-09-16 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
|
|
4BZN
 | | Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor | | 分子名称: | N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | 著者 | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | | 登録日 | 2013-07-29 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
|
|
7LYX
 | | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | | 分子名称: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | | 著者 | Liu, J, Scott, E.E. | | 登録日 | 2021-03-08 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
|
|
6E9X
 | | DHF91 filament | | 分子名称: | DHF91 filament | | 著者 | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | 登録日 | 2018-08-01 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | | 主引用文献 | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
|
|
1Y7H
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | 分子名称: | THIOCYANATE ION, salicylic acid-binding protein 2 | | 著者 | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2004-12-08 | | 公開日 | 2004-12-28 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
7ZMM
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2-001 | | 分子名称: | ATP-dependent DNA helicase Q5, Gluebody G2-001, ZINC ION | | 著者 | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | 登録日 | 2022-04-19 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
|
|
4LXC
 | | The antimicrobial peptidase lysostaphin from Staphylococcus simulans | | 分子名称: | Lysostaphin, SULFATE ION, ZINC ION | | 著者 | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | | 登録日 | 2013-07-29 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
|
|
2VCN
 | | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant W41A | | 分子名称: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | 登録日 | 2007-09-25 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
|
|
3MQ6
 | |
2Q40
 | | Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At2g17340 | | 分子名称: | MAGNESIUM ION, Protein At2g17340 | | 著者 | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2007-05-31 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
|
|
6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-10-11 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
|
|
7ZY9
 | |
1USZ
 | | SeMet AfaE-3 adhesin from Escherichia Coli | | 分子名称: | AFIMBRIAL ADHESIN AFA-III, CHLORIDE ION, SULFATE ION | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-02 | | 公開日 | 2004-08-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
|
|
4MEX
 | | Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-21 | | 最終更新日 | 2014-06-25 | | 実験手法 | X-RAY DIFFRACTION (3.902 Å) | | 主引用文献 | Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
|
|
2B69
 | | Crystal Structure of Human UDP-glucoronic acid decarboxylase | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucuronate decarboxylase 1, URIDINE-5'-DIPHOSPHATE | | 著者 | Ugochukwu, E, Dubinina, E, Kavanagh, K, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2005-09-30 | | 公開日 | 2005-10-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Crystal Structure of Human UDP-glucoronic acid decarboxylase
To be Published
|
|
2PPD
 | |
4P30
 | | Structure of NavMS mutant in presence of PI1 compound | | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | 著者 | Bagneris, C, Naylor, C.E, Wallace, B.A. | | 登録日 | 2014-03-05 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1ZY2
 | | Crystal structure of the phosphorylated receiver domain of the transcription regulator NtrC1 from Aquifex aeolicus | | 分子名称: | MAGNESIUM ION, transcriptional regulator NtrC1 | | 著者 | Doucleff, M, Chen, B, Maris, A.E, Wemmer, D.E, Kondrashkina, E, Nixon, B.T. | | 登録日 | 2005-06-09 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Negative regulation of AAA + ATPase assembly by two component receiver domains: a transcription activation mechanism that is conserved in mesophilic and extremely hyperthermophilic bacteria
J.Mol.Biol., 353, 2005
|
|
4PA6
 | | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | 著者 | Naylor, C.E, Bagneris, C, Wallace, B.A. | | 登録日 | 2014-04-07 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1HSJ
 | | SARR MBP FUSION STRUCTURE | | 分子名称: | FUSION PROTEIN CONSISTING OF STAPHYLOCOCCUS ACCESSORY REGULATOR PROTEIN R AND MALTOSE BINDING PROTEIN, alpha-D-glucopyranose | | 著者 | Zhang, G. | | 登録日 | 2000-12-26 | | 公開日 | 2001-06-06 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the SarR protein from Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
2B7O
 | | The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from Mycobacterium tuberculosis | | 分子名称: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase AroG, MANGANESE (II) ION, O-DODECANYL OCTAETHYLENE GLYCOL, ... | | 著者 | Webby, C.J, Baker, H.M, Lott, J.S, Baker, E.N, Parker, E.J, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | 登録日 | 2005-10-05 | | 公開日 | 2005-10-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis reveals a common catalytic scaffold and ancestry for type I and type II enzymes
J.Mol.Biol., 354, 2005
|
|
1HV0
 | | DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE | | 分子名称: | ENDO-1,4-BETA-XYLANASE | | 著者 | Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P. | | 登録日 | 2001-01-05 | | 公開日 | 2001-09-14 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase.
Biochemistry, 40, 2001
|
|
8A8M
 | | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | 著者 | Bowler, M.W, Juyoux, P, Pellegrini, E. | | 登録日 | 2022-06-23 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
|
|
