5EFD
 
 | | Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | 1,2-ETHANEDIOL, Beta-xylanase, CHLORIDE ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2015-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches.
J.Chem.Inf.Model., 2021
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5EFF
 | | Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | Beta-xylanase, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2015-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
To Be Published
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3EQ0
 | | Thrombin Inhibitor | | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G, Steinmetzer, T. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Thrombin Inhibition
To be Published
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5EQV
 | | 1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-MALATE, FE (III) ION, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site.
To Be Published
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5LHE
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3ECQ
 | | Endo-alpha-N-acetylgalactosaminidase from Streptococcus pneumoniae: SeMet structure | | Descriptor: | CALCIUM ION, Endo-alpha-N-acetylgalactosaminidase, GLYCEROL, ... | | Authors: | Caines, M.E.C, Zhu, H, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2008-09-01 | | Release date: | 2008-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structural basis for T-antigen hydrolysis by Streptococcus pneumoniae: a target for structure-based vaccine design.
J.Biol.Chem., 283, 2008
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3EEB
 | | Structure of the V. cholerae RTX cysteine protease domain | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION | | Authors: | Lupardus, P.J, Shen, A, Bogyo, M, Garcia, K.C. | | Deposit date: | 2008-09-04 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain
Science, 322, 2008
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5EOZ
 | | Mutagenicity of 7-Benzyl guanine lesion and Replication by Human DNA Polymerase beta | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(GFL)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | | Authors: | Koag, M.C, Lee, S. | | Deposit date: | 2015-11-10 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5LQ7
 | | Salmonella effector SpvD - G161 variant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
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5LTZ
 | | GmhA_mutant Q175E | | Descriptor: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vivoli, M, Harmer, N.J. | | Deposit date: | 2016-09-07 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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3EXM
 | | Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP | | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | | Authors: | Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-10-16 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases.
To be Published
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3EXX
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5EOU
 | | Pseudomonas aeruginosa PilM:PilN1-12 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L, Howell, L.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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5LD8
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5EUA
 | | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam | | Descriptor: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | | Deposit date: | 2015-11-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
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3F68
 | | Thrombin Inhibition | | Descriptor: | Hirudin variant-2, N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Prothrombin, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-11-05 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
J.Mol.Biol., 391, 2009
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6NL9
 | | Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo | | Descriptor: | Immunoglobulin G-binding protein G, MAGNESIUM ION, SODIUM ION | | Authors: | Maniaci, B, Stec, B, Huxford, T. | | Deposit date: | 2019-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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6NNR
 | | high-resolution structure of wild-type E. coli thymidylate synthase | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
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6NC8
 | | Lipid II flippase MurJ, inward occluded conformation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, PENTAETHYLENE GLYCOL, ... | | Authors: | Kuk, A.C.Y, Lee, S.-Y. | | Deposit date: | 2018-12-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
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6NSV
 | | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | | Deposit date: | 2019-01-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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6NVA
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6NIB
 | | Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Porphyromonas-type peptidyl-arginine deiminase, ... | | Authors: | Sekula, B, Dauter, Z. | | Deposit date: | 2018-12-27 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Study of Agmatine Iminohydrolase FromMedicago truncatula, the Second Enzyme of the Agmatine Route of Putrescine Biosynthesis in Plants.
Front Plant Sci, 10, 2019
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6NLA
 | | Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc | | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin G-binding protein G, ... | | Authors: | Maniaci, B, Stec, B, Huxford, T. | | Deposit date: | 2019-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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6NSI
 | | Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis | | Descriptor: | CALCIUM ION, FE (III) ION, Manganese-binding protein, ... | | Authors: | Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A. | | Deposit date: | 2019-01-24 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.00006342 Å) | | Cite: | Structure and Metal Binding Properties of Chlamydia trachomatis YtgA.
J.Bacteriol., 202, 2019
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