6THV
 
 | | X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Barinka, C, Motlova, L, Svoboda, M. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.
Acs Med.Chem.Lett., 11, 2020
|
|
6TD8
 | | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | | Descriptor: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2019-11-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
|
|
6G3M
 | | Phosphotriesterase PTE_C23M_4 | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-03-26 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Phosphotriesterase
PTE_C23M_4
To Be Published
|
|
2OCX
 | | Crystal structure of Se-Met fucosyltransferase NodZ from Bradyrhizobium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nodulation fucosyltransferase NodZ, PHOSPHATE ION | | Authors: | Brzezinski, K, Stepkowski, T, Panjikar, S, Bujacz, G, Jaskolski, M. | | Deposit date: | 2006-12-21 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-resolution structure of NodZ fucosyltransferase involved in the biosynthesis of the nodulation factor.
Acta Biochim.Pol., 54, 2007
|
|
4OW1
 | | Crystal Structure of Resuscitation Promoting Factor C | | Descriptor: | 1,2-ETHANEDIOL, Resuscitation-promoting factor RpfC | | Authors: | Chauviac, F.X, Quay, D.H.X, Cohen-Gonsaud, M, Keep, N.H. | | Deposit date: | 2014-01-29 | | Release date: | 2014-06-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The RpfC (Rv1884) atomic structure shows high structural conservation within the resuscitation-promoting factor catalytic domain.
Acta Crystallogr.,Sect.F, 70, 2014
|
|
1OSB
 | | Conjugative Relaxase TrwC in complex with OriT Dna. Metal-free structure. | | Descriptor: | Dna oligonucleotide, SULFATE ION, TrwC protein | | Authors: | Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M. | | Deposit date: | 2003-03-19 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Recognition and processing of the origin of transfer DNA by conjugative relaxase TrwC.
Nat.Struct.Biol., 10, 2003
|
|
3D2N
 | |
1K7B
 | | NMR Solution Structure of sTva47, the Viral-Binding Domain of Tva | | Descriptor: | SUBGROUP A ROUS SARCOMA VIRUS RECEPTOR PG800 AND PG950 | | Authors: | Tonelli, M, Peters, R.J, James, T.L, Agard, D.A. | | Deposit date: | 2001-10-18 | | Release date: | 2001-12-19 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the viral binding domain of Tva, the cellular receptor for subgroup A avian leukosis and sarcoma virus.
FEBS Lett., 509, 2001
|
|
3REV
 | | Crystal structure of human alloreactive tcr nb20 | | Descriptor: | 1,2-ETHANEDIOL, TCR NB20 ALPHA CHAIN, TCR NB20 BETA CHAIN | | Authors: | Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E. | | Deposit date: | 2011-04-05 | | Release date: | 2012-01-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
4OKF
 | | RNase S in complex with an artificial peptide | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | | Authors: | Genz, M, Strater, N. | | Deposit date: | 2014-01-22 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | X-ray structure of a RNase S variant in complex with an artificial peptide
To be Published
|
|
6SNH
 | | Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc | | Descriptor: | 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ... | | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | | Deposit date: | 2019-08-24 | | Release date: | 2020-03-11 | | Last modified: | 2020-04-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
|
|
3D2S
 | |
6SNX
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide | | Descriptor: | BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-08-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6G4L
 | | 17beta-hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex With a Non-steroidal Inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. | | Deposit date: | 2018-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17beta-HSD14
J.Steroid Biochem.Mol.Biol., 2019
|
|
6GBK
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
|
|
3RF1
 | | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC 11168 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Glycyl-tRNA synthetase alpha subunit | | Authors: | Tan, K, Zhang, R, Zhou, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-04-05 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
|
|
6GBR
 | | Crystal Structure of the oligomerization domain of VP35 from Reston virus, mercury derivative | | Descriptor: | MERCURIBENZOIC ACID, Polymerase cofactor VP35 | | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species.
Structure, 27, 2019
|
|
4OX6
 | |
6G4W
 | | Cryo-EM structure of a late human pre-40S ribosomal subunit - State A | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | | Authors: | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2018-03-28 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
|
|
4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8429 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
|
|
4H2X
 | | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate | | Descriptor: | 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ... | | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | | Deposit date: | 2012-09-13 | | Release date: | 2013-03-06 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
|
|
3D3U
 | | Crystal structure of 4-hydroxybutyrate CoA-transferase (abfT-2) from Porphyromonas gingivalis. Northeast Structural Genomics Consortium target PgR26 | | Descriptor: | 4-hydroxybutyrate CoA-transferase | | Authors: | Forouhar, F, Neely, H, Zhang, X.-Z, Price II, W.N, Hussain, M, Seetharaman, J, Xiao, R, Conover, K, Cunningham, K, Ma, L.-C, Ho, C.K, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-05-12 | | Release date: | 2008-07-15 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of 4-hydroxybutyrate CoA-transferase (abfT-2) from Porphyromonas gingivalis.
To be Published
|
|
6G85
 | | Structure of Cdc14 bound to CBK1 PxL motif | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CBK1, ... | | Authors: | Mouilleron, S, Kataria, M, Uhlmann, F. | | Deposit date: | 2018-04-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6G8N
 | | Yeast 20S proteasome in complex with Cystargolide B Derivative 2 | | Descriptor: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Groll, M, Tello-Aburto, R. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
|
|
4PMQ
 | | Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in complex with L-tartrate (orthorhombic crystal form) | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Tat-secreted protein Rv2525c | | Authors: | Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
|
|
