1FGB
| TOXIN | Descriptor: | CHOLERA TOXIN B SUBUNIT PENTAMER | Authors: | Zhang, R.-G, Westbrook, E. | Deposit date: | 1996-02-21 | Release date: | 1996-12-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The 2.4 A crystal structure of cholera toxin B subunit pentamer: choleragenoid. J.Mol.Biol., 251, 1995
|
|
4KSP
| Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Masanori, O. | Deposit date: | 2013-05-17 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives. J.Med.Chem., 56, 2013
|
|
2YK7
| Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP-3F-Neu5Ac. | Descriptor: | 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, ... | Authors: | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2011-05-25 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis J.Biol.Chem., 286, 2011
|
|
4OP7
| |
2Q6J
| Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand | Descriptor: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide | Authors: | Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. | Deposit date: | 2007-06-05 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007
|
|
3Q3Y
| Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404) | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, HEVB EV93 3C protease, ... | Authors: | Costenaro, L, Kaczmarska, Z, Arnan, C, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. | Deposit date: | 2010-12-22 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93. J.Virol., 85, 2011
|
|
2YK4
| Structure of Neisseria LOS-specific sialyltransferase (NST). | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, ... | Authors: | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2011-05-25 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis J.Biol.Chem., 286, 2011
|
|
1Q0P
| A domain of Factor B | Descriptor: | Complement factor B, MANGANESE (II) ION | Authors: | Bhattacharya, A.A, Liddington, R.C. | Deposit date: | 2003-07-17 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation. STRUCTURE, 12, 2004
|
|
2QSE
| |
4CEI
| Crystal structure of ADPNP-bound AddAB with a forked DNA substrate | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | Deposit date: | 2013-11-11 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites. Nature, 508, 2014
|
|
1N69
| Crystal structure of human saposin B | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, SAPOSIN B | Authors: | Ahn, V.E, Faull, K.F, Whitelegge, J.P, Fluharty, A.L, Prive, G.G. | Deposit date: | 2002-11-08 | Release date: | 2003-01-07 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of saposin B reveals a dimeric shell for lipid binding Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
4CEJ
| Crystal structure of AddAB-DNA-ADPNP complex at 3 Angstrom resolution | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | Deposit date: | 2013-11-11 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites. Nature, 508, 2014
|
|
1NAN
| MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | Deposit date: | 2002-11-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
|
|
1CSB
| |
3QKD
| Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Smith, B.J. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity. J.Med.Chem., 54, 2011
|
|
1EI1
| DIMERIZATION OF E. COLI DNA GYRASE B PROVIDES A STRUCTURAL MECHANISM FOR ACTIVATING THE ATPASE CATALYTIC CENTER | Descriptor: | DNA GYRASE B, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Brino, L, Urzhumtsev, A, Oudet, P, Moras, D. | Deposit date: | 2000-02-23 | Release date: | 2000-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dimerization of Escherichia coli DNA-gyrase B provides a structural mechanism for activating the ATPase catalytic center. J.Biol.Chem., 275, 2000
|
|
6ISL
| SnoaL-like cyclase XimE with its product xiamenmycin B | Descriptor: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid, XimE, SnoaL-like domain protein | Authors: | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis Acs Catalysis, 9, 2019
|
|
3T49
| |
3NBD
| Clitocybe nebularis ricin B-like lectin (CNL) in complex with lactose, crystallized at pH 7.1 | Descriptor: | Ricin B-like lectin, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Renko, M, Pohleven, J, Sabotic, J, Kos, J, Turk, D. | Deposit date: | 2010-06-03 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis J.Biol.Chem., 287, 2012
|
|
3EN4
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
|
|
3ERA
| RECOMBINANT ERABUTOXIN A (S8T MUTANT) | Descriptor: | ERABUTOXIN A, THIOCYANATE ION | Authors: | Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High resolution x-ray analysis of two mutants of a curaremimetic snake toxin Eur.J.Biochem., 267, 2000
|
|
7FAR
| Crystal structure of PDE5A in complex with inhibitor L12 | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006471 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
|
|
7FAQ
| Crystal structure of PDE5A in complex with inhibitor L1 | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.200136 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
|
|
2KEB
| NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit | Descriptor: | DNA polymerase subunit alpha B | Authors: | Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E. | Deposit date: | 2009-01-28 | Release date: | 2010-02-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome. J.Biol.Chem., 285, 2010
|
|
5U1I
| Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the methylated Kanamycin B | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CALCIUM ION, Putative gentamicin methyltransferase, ... | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-28 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
|
|