4I8L
 
 | | Bovine trypsin at 0.87 resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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4HTR
 | | N149W variant of SiRHP bound to sulfite | | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ... | | Authors: | Smith, K.W, Stroupe, M.E. | | Deposit date: | 2012-11-01 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer.
Biochemistry, 51, 2012
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4HU9
 | | E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-29 | | Last modified: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
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4HWG
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4HWP
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3DRI
 | | Crystal structure of Lactococcal OppA co-crystallized with an octamer peptide in an open conformation | | Descriptor: | Oligopeptide-binding protein oppA, peptide AASASA | | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
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4HW5
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4HWT
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4HXK
 | | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXR
 | | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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3DP1
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DSZ
 | | Engineered human lipocalin 2 in complex with Y-DTPA | | Descriptor: | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2 | | Authors: | Eichinger, A, Skerra, A. | | Deposit date: | 2008-07-14 | | Release date: | 2009-05-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
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4HZ3
 | | MthK pore crystallized in presence of TBSb | | Descriptor: | Calcium-gated potassium channel mthK, HEXANE-1,6-DIOL, POTASSIUM ION | | Authors: | Posson, D.J, McCoy, J.G, Nimigean, C.M. | | Deposit date: | 2012-11-14 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The voltage-dependent gate in MthK potassium channels is located at the selectivity filter.
Nat.Struct.Mol.Biol., 20, 2013
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3F8B
 | | Crystal structure of the multidrug binding transcriptional regulator LmrR in drug free state | | Descriptor: | Transcriptional regulator, PadR-like family | | Authors: | Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H. | | Deposit date: | 2008-11-12 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
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4I1T
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4I3E
 | | Crystal structure of Staphylococcal IMPase - I complexed with products. | | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | Authors: | Bhattacharyya, S, Dutta, A, Dutta, D, Das, A.K. | | Deposit date: | 2012-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Staphylococcal IMPase - I complexed with products.
To be Published
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4I1Y
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4I3Y
 | | Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex | | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | Authors: | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | | Deposit date: | 2012-11-26 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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3FCA
 | | Genetic Incorporation of a Metal-ion Chelating Amino Acid into proteins as biophysical probe | | Descriptor: | Cysteine synthase, ZINC ION | | Authors: | Wang, F, Lee, H, Spraggon, G, Schultz, P.G. | | Deposit date: | 2008-11-21 | | Release date: | 2009-02-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Genetic incorporation of a metal-ion chelating amino acid into proteins as a biophysical probe.
J.Am.Chem.Soc., 131, 2009
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4I6U
 | | Crystal Structure of a Y37F mutant of the Restriction-Modification Controller Protein C.Esp1396I | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Martin, R.N.A, McGeehan, J.E, Kneale, G.G. | | Deposit date: | 2012-11-30 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
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4I75
 | | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with the NiTris metalorganic complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ... | | Authors: | Giannese, F, Degano, M. | | Deposit date: | 2012-11-30 | | Release date: | 2013-08-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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4HSC
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4IA0
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ren, J, Chen, T, Xu, Y. | | Deposit date: | 2012-12-05 | | Release date: | 2014-01-01 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
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4HTT
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4HWJ
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