7Q7S
 
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-11-09 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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3LPL
 | | E. coli pyruvate dehydrogenase complex E1 component E571A mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Furey, W. | | Deposit date: | 2010-02-05 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
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6P0T
 | | Crystal structure of ternary DNA complex "FX(1-2)-1Xis" containing E. coli Fis and phage lambda Xis | | Descriptor: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | | Authors: | Hancock, S.P, Cascio, D, Johnson, R.C. | | Deposit date: | 2019-05-17 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.603 Å) | | Cite: | Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
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6YJF
 | | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 | | Descriptor: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase | | Authors: | Hyvonen, M, Brear, P, Blaszczyk, B.K. | | Deposit date: | 2020-04-03 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
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3CQR
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6OZX
 | | Wild type GapR crystal structure 1 from C. crescentus | | Descriptor: | UPF0335 protein CC_3319 | | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | Deposit date: | 2019-05-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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6P4A
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3CWW
 | | Crystal Structure of IDE-bradykinin complex | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ... | | Authors: | Malito, E, Tang, W.J. | | Deposit date: | 2008-04-23 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme
Biochemistry, 47, 2008
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3LC5
 | | Selective Benzothiophine Inhibitors of Factor IXa | | Descriptor: | 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX | | Authors: | Wang, S, Beck, R. | | Deposit date: | 2010-01-09 | | Release date: | 2010-02-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.
J.Med.Chem., 53, 2010
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3DWO
 | | Crystal structure of a Pseudomonas aeruginosa FadL homologue | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Probable outer membrane protein, SULFATE ION | | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | | Deposit date: | 2008-07-22 | | Release date: | 2008-12-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall.
Nature, 458, 2009
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3LDM
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3DKS
 | | DsbA substrate complex | | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | | Deposit date: | 2008-06-25 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
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3DI3
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6EYC
 | | Re-refinement of the MCM2-7 double hexamer using ISOLDE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | | Authors: | Croll, T.I. | | Deposit date: | 2017-11-11 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps.
Acta Crystallogr D Struct Biol, 74, 2018
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3LLY
 | | Crystal Structure Analysis of Maclura pomifera agglutinin | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-2 chain | | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | | Deposit date: | 2010-01-29 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
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6P8C
 | | 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | | Descriptor: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
To Be Published
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3LLZ
 | | Crystal Structure Analysis of Maclura pomifera agglutinin complex with Gal-beta-1,3-GalNAc | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-2 chain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | | Deposit date: | 2010-01-29 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
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3LMO
 | | Crystal Structure of specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324 | | Descriptor: | Specialized acyl carrier protein | | Authors: | Forouhar, F, Rossi, P, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
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3LYU
 | | Crystal Structure of the C-terminal domain (residues 83-215) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A | | Descriptor: | Putative hydrogenase | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-23 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Northeast Structural Genomics Consortium Target PfR246A
To be Published
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3LYS
 | | Crystal Structure of the N-terminal domain of the Prophage pi2 protein 01 (integrase) from Lactococcus lactis, Northeast Structural Genomics Consortium Target KR124F | | Descriptor: | Prophage pi2 protein 01, integrase | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-16 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Northeast Structural Genomics Consortium Target KR124F
To be Published
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3DZ2
 | | Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | | Deposit date: | 2008-07-29 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
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3M0O
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3DIE
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3E03
 | | Crystal structure of a putative dehydrogenase from Xanthomonas campestris | | Descriptor: | CALCIUM ION, Short chain dehydrogenase | | Authors: | Sampathkumar, P, Wasserman, S, Rutter, M, Hu, S, Bain, K, Rodgers, L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-07-30 | | Release date: | 2008-09-16 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of a putative dehydrogenase from Xanthomonas campestris
To be Published
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3DLN
 | | Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate | | Descriptor: | GLUTAMIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E. | | Deposit date: | 2008-06-27 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
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