2Y32
 
 | | Crystal structure of bradavidin | | Descriptor: | BLR5658 PROTEIN | | Authors: | Leppiniemi, J, Gronroos, T, Johnson, M.S, Kulomaa, M.S, Hytonen, V.P, Airenne, T.T. | | Deposit date: | 2010-12-17 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of Bradavidin - C-Terminal Residues Act as Intrinsic Ligands.
Plos One, 7, 2012
|
|
2XU5
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, CITRATE ANION, ... | | Authors: | Banner, D.W, Benz, J.M, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
1DJA
 | |
1DWK
 | | STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ENZYME ACTIVE SITE | | Descriptor: | CYANATE HYDRATASE, OXALATE ION, SULFATE ION | | Authors: | Walsh, M.A, Otwinowski, Z, Perrakis, A, Anderson, P.M, Joachimiak, A. | | Deposit date: | 1999-12-07 | | Release date: | 2000-05-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Structure, 8, 2000
|
|
3QER
 | | RB69 DNA Polymerase (L561A/S565G/Y567A) Ternary Complex with dATP Opposite Difluorotoluene Nucleoside | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | | Deposit date: | 2011-01-20 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Basis for Differential Insertion Kinetics of dNMPs Opposite a Difluorotoluene Nucleotide Residue.
Biochemistry, 51, 2012
|
|
3QEP
 | | RB69 DNA Polymerase (L561A/S565G/Y567A) Ternary Complex with dTTP Opposite Difluorotoluene Nucleoside | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*GP*(DFT)P*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | | Deposit date: | 2011-01-20 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen-bonding capability of a templating difluorotoluene nucleotide residue in an RB69 DNA polymerase ternary complex.
J.Am.Chem.Soc., 133, 2011
|
|
3UGR
 | | AKR1C3 complex with indomethacin at pH 6.8 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
|
|
3UG8
 | | AKR1C3 complex with indomethacin at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
|
|
1EV0
 | |
5KYK
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
|
|
4AS1
 | | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation | | Descriptor: | LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU5 (UAA ISOACEPTOR) | | Authors: | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | | Deposit date: | 2012-04-27 | | Release date: | 2012-06-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
|
|
5L6K
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | Deposit date: | 2016-05-30 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
|
|
4B1V
 | | Structure of the Phactr1 RPEL-N domain bound to G-actin | | Descriptor: | 1,2-ETHANEDIOL, ACTIN, ALPHA SKELETAL MUSCLE, ... | | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | | Deposit date: | 2012-07-12 | | Release date: | 2012-11-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
|
|
4B2B
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
|
|
4ARI
 | | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation | | Descriptor: | GLYCEROL, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ... | | Authors: | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
|
|
5WOO
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with Myristic acid (C14:0) to 1.78 Angstrom resolution | | Descriptor: | EDD domain protein, DegV family, GLYCEROL, ... | | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | | Deposit date: | 2017-08-02 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
|
|
5L6T
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-05-31 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
|
|
5KSO
 | | hMiro1 C-domain GDP-Pi Complex P3121 Crystal Form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1, PHOSPHATE ION | | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2016-07-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
|
|
5L70
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
|
|
5KU1
 | | hMiro1 EF hand and cGTPase domains in the GDP-bound state | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2016-07-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
|
|
4B1W
 | | Structure of the Phactr1 RPEL-2 domain bound to actin | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | | Deposit date: | 2012-07-12 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
|
|
5WBG
 | | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-06-29 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
|
|
4ZU2
 | | Pseudomonas aeruginosa AtuE | | Descriptor: | IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase | | Authors: | Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family.
Appl.Environ.Microbiol., 81, 2015
|
|
4B2C
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
|
|
5L9E
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-10 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
|
|
