6W2P
| APE1 endonuclease product complex L104R | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
|
|
3JQ9
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (AX1) | Descriptor: | 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
|
|
3JQ8
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine (DX3) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
|
|
6W47
| Peptoid-Containing Collagen Peptide | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | Authors: | Chenoweth, D.M, Melton, S.D. | Deposit date: | 2020-03-10 | Release date: | 2020-08-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides. Chem Sci, 11, 2020
|
|
3JQG
| |
6MDZ
| |
5I87
| Crystal structure of BT-CD domains of human acetyl-CoA carboxylase | Descriptor: | BT-CD domains of human acetyl-CoA carboxylase, CADMIUM ION | Authors: | Stuttfeld, E, Hunkeler, M, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
|
|
6W7V
| Structure of rabbit actin in complex with truncated analog of Mycalolide B | Descriptor: | (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Allingham, J.S, Deng, X, Trofimova, D. | Deposit date: | 2020-03-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix. J.Am.Chem.Soc., 143, 2021
|
|
6VHY
| NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | Descriptor: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | Authors: | Kreitler, D.F, Gulick, A.M. | Deposit date: | 2020-01-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca. Acs Infect Dis., 6, 2020
|
|
3JQB
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
|
|
5UP7
| Crystal Structure of the Ni-bound Human Heavy-Chain Ferritin 122H-delta C-star variant | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A. | Deposit date: | 2017-02-01 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks. J. Am. Chem. Soc., 139, 2017
|
|
6W07
| Bruton's tyrosine kinase in complex with compound 1 | Descriptor: | DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK, ~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2020-02-29 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J.Med.Chem., 63, 2020
|
|
6WA8
| |
8S4S
| PrgE from plasmid pCF10 | Descriptor: | POTASSIUM ION, PrgE, SULFATE ION | Authors: | Breidenstein, A, Berntsson, R.P.-A. | Deposit date: | 2024-02-22 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | PrgE: an OB-fold protein from plasmid pCF10 with striking differences to prototypical bacterial SSBs. Life Sci Alliance, 7, 2024
|
|
6W3Q
| APE1 exonuclease substrate complex L104R | Descriptor: | CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, GCTGATGCG(C7R), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-09 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
|
|
8FFE
| Crystal structure of LRP6 E1E2 domains bound to YW210.09 Fab and engineered XWnt8 peptide | Descriptor: | GLYCEROL, Low-density lipoprotein receptor-related protein 6, SODIUM ION, ... | Authors: | Jude, K.M, Tsutsumi, N, Waghray, D, Garcia, K.C. | Deposit date: | 2022-12-08 | Release date: | 2023-03-08 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6W3L
| APE1 exonuclease substrate complex wild-type | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-09 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
|
|
6W0Q
| APE1 endonuclease product complex D148E | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-02 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
|
|
4Z0X
| |
6W06
| Bruton's tyrosine kinase in complex with compound 6 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2020-02-29 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J.Med.Chem., 63, 2020
|
|
3JQ6
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7-bis(1-methylethyl)pteridine-2,4-diamine (DX1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
|
|
3JQE
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8) | Descriptor: | 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
|
|
4ZJ1
| Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6BLY
| Cryo-EM structure of human CPSF-160-WDR33 complex at 3.36A resolution | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, pre-mRNA 3' end processing protein WDR33 | Authors: | Sun, Y, Zhang, Y, Hamilton, K, Walz, T, Tong, L. | Deposit date: | 2017-11-12 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular basis for the recognition of the human AAUAAA polyadenylation signal. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
1AJZ
| STRUCTURE OF DIHYDROPTEROATE PYROPHOSPHORYLASE | Descriptor: | DIHYDROPTEROATE SYNTHASE, SULFATE ION | Authors: | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | Deposit date: | 1997-05-13 | Release date: | 1998-05-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase. Nat.Struct.Biol., 4, 1997
|
|