6X1N
 
 | |
2Y68
 | | Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase | | Descriptor: | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ... | | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | | Deposit date: | 2011-01-20 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011
|
|
3TGR
 | | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3TGT
 | | Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3TGQ
 | | Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3TIH
 | |
4OTG
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | | Descriptor: | Lestaurtinib, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
|
|
4OTH
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
|
|
4OTD
 | | Crystal Structure of PRK1 Catalytic Domain | | Descriptor: | Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
|
|
4OTI
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
|
|
1QN1
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERRICYTOCHROME C3, NMR, 15 STRUCTURES | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Brennan, L, Messias, A.C, Legall, J, Turner, D.L, Xavier, A.V. | | Deposit date: | 1999-10-11 | | Release date: | 2000-10-12 | | Last modified: | 2019-11-06 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for the Network of Functional Cooperativities in Cytochromes C3 from Desulfovibrio Gigas: Solution Structures of the Oxidised and Reduced States
J.Mol.Biol., 298, 2000
|
|
2WX9
 | |
2WYP
 | | Crystal structure of sialic acid binding protein | | Descriptor: | SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, deamino-beta-neuraminic acid | | Authors: | Fischer, M, Hubbard, R.E. | | Deposit date: | 2009-11-18 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
|
|
2WYK
 | | SiaP in complex with Neu5Gc | | Descriptor: | N-glycolyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, THIOCYANATE ION | | Authors: | Fischer, M, Hubbard, R.E. | | Deposit date: | 2009-11-16 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
|
|
7OYL
 | | Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
|
|
1QN0
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERROCYTOCHROME C3, NMR, 20 STRUCTURES | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Messias, A.C, Teodoro, M.L, Brennan, L, Legall, J, Santos, H, Xavier, A.V, Turner, D.L. | | Deposit date: | 1999-10-11 | | Release date: | 2000-10-12 | | Last modified: | 2019-11-06 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for the Network of Functional Cooperativities in Cytochrome C3 from Desulfovibrio Gigas: Solution Structures of the Oxidised and Reduced States
J.Mol.Biol., 298, 2000
|
|
2XA5
 | |
4WD3
 | | Crystal structure of an L-amino acid ligase RizA | | Descriptor: | L-amino acid ligase | | Authors: | Kagawa, W, Arai, T, Kino, K, Kurumizaka, H. | | Deposit date: | 2014-09-06 | | Release date: | 2015-09-09 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of RizA, an L-amino-acid ligase from Bacillus subtilis.
Acta Crystallogr.,Sect.F, 71, 2015
|
|
2DSX
 | | Crystal structure of rubredoxin from Desulfovibrio gigas to ultra-high 0.68 A resolution | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Chen, C.-J, Lin, Y.-H, Huang, Y.-C, Liu, M.-Y. | | Deposit date: | 2006-07-07 | | Release date: | 2006-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (0.68 Å) | | Cite: | Crystal structure of rubredoxin from Desulfovibrio gigas to ultra-high 0.68A resolution
Biochem.Biophys.Res.Commun., 349, 2006
|
|
1GYO
 | | Crystal structure of the di-tetraheme cytochrome c3 from Desulfovibrio gigas at 1.2 Angstrom resolution | | Descriptor: | CYTOCHROME C3, A DIMERIC CLASS III C-TYPE CYTOCHROME, GLYCEROL, ... | | Authors: | Aragao, D, Frazao, C, Sieker, L, Sheldrick, G.M, Legall, J, Carrondo, M.A. | | Deposit date: | 2002-04-29 | | Release date: | 2002-05-24 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of Dimeric Cytochrome C3 from Desulfovibrio Gigas at 1.2 A Resolution
Acta Crystallogr.,Sect.D, 59, 2003
|
|
3I5R
 | | PI3K SH3 domain in complex with a peptide ligand | | Descriptor: | Peptide ligand, Phosphatidylinositol 3-kinase regulatory subunit alpha | | Authors: | Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D. | | Deposit date: | 2009-07-06 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
|
|
6APW
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | Descriptor: | 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid, Bifunctional ligase/repressor BirA | | Authors: | Cini, D.A, Wilce, M.C.J. | | Deposit date: | 2017-08-18 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.614 Å) | | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
|
|
6AQQ
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | Descriptor: | (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA | | Authors: | Cini, D.A, Wilce, M.C.J. | | Deposit date: | 2017-08-21 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
|
|
6FGA
 | | Crystal structure of TRIM21 E3 ligase, RING domain in complex with its cognate E2 conjugating enzyme UBE2E1 | | Descriptor: | E3 ubiquitin-protein ligase TRIM21, GLYCEROL, Ubiquitin-conjugating enzyme E2 E1, ... | | Authors: | Anandapadamanaban, M, Moche, M, Sunnerhagen, M. | | Deposit date: | 2018-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2.
J.Biol.Chem., 294, 2019
|
|
2KR1
 | | Solution NMR structure of zinc binding N-terminal domain of ubiquitin-protein ligase E3A from Homo Sapiens. Northeast Structural Genomics Consortium (NESG) target HR3662 | | Descriptor: | Ubiquitin protein ligase E3A, ZINC ION | | Authors: | Lemak, A, Yee, A, Fares, C, Semesi, A, Xiao, R, Montelione, G, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-27 | | Release date: | 2009-12-22 | | Last modified: | 2020-02-26 | | Method: | SOLUTION NMR | | Cite: | Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A.
J.Biomol.Nmr, 51, 2011
|
|
