4P5R
 
 | | Structure of oxidized W45Y mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION, SODIUM ION | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2014-03-19 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site.
Arch.Biochem.Biophys., 550-551, 2014
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3PHS
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3PLY
 | | Structure of Oxidized P96G Mutant of Amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2010-11-15 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Proline 96 of the copper ligand loop of amicyanin regulates electron transfer from methylamine dehydrogenase by positioning other residues at the protein-protein interface.
Biochemistry, 50, 2011
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3PHC
 | | Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG | | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Ho, M, Edwards, A.A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-11-03 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG
To be Published
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4QE8
 | | FXR with DM175 and NCoA-2 peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2014-05-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | FXR with DM175 and NCoA-2 peptide
To be Published
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4QAQ
 | | 1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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4QFB
 | | 1.99 A resolution structure of SeMet-CT263 (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263 | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-01 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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4QAT
 | | 1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CT263 | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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4P5S
 | | Structure of reduced W45Y mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (I) ION | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2014-03-19 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site.
Arch.Biochem.Biophys., 550-551, 2014
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3PHB
 | | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG | | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Ho, M, Cassera, M.B, Murkin, A.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-11-03 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG
to be published
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3PBJ
 | | Hydrolytic catalysis and structural stabilization in a designed metalloprotein | | Descriptor: | CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ... | | Authors: | Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2010-10-20 | | Release date: | 2011-11-30 | | Last modified: | 2022-05-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hydrolytic catalysis and structural stabilization in a designed metalloprotein.
Nat Chem, 4, 2012
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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3QDH
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3RBK
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4OWE
 | | PtCl6 binding to HEWL | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | | Deposit date: | 2014-01-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
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4POL
 | | Crystal structures of thioredoxin with mesna at 2.8A resolution | | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | | Deposit date: | 2014-02-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity
J Pharmacol Clin Toxicol, 2, 2014
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3OZB
 | | Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in complex with hypoxanthine | | Descriptor: | HYPOXANTHINE, Methylthioadenosine phosphorylase, SULFATE ION | | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-09-24 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Biochemistry, 50, 2011
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3RYM
 | | Structure of Oxidized M98K mutant of Amicyanin | | Descriptor: | Amicyanin, ZINC ION | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2011-05-11 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7039 Å) | | Cite: | Replacement of the axial copper ligand methionine with lysine in amicyanin converts it to a zinc-binding protein that no longer binds copper.
J.Inorg.Biochem., 105, 2011
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4QVK
 | | Apo-crystal structure of Podospora anserina methyltransferase PaMTH1 | | Descriptor: | 1,2-ETHANEDIOL, PaMTH1 Methyltransferase | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2014-07-15 | | Release date: | 2015-05-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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4POK
 | | Crystal structures of thioredoxin with mesna at 2.5A resolution | | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | | Deposit date: | 2014-02-25 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity
J Pharmacol Clin Toxicol, 2, 2014
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4POM
 | | Crystal structures of thioredoxin with mesna at 1.85A resolution | | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | | Deposit date: | 2014-02-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity
J Pharmacol Clin Toxicol, 2, 2014
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4QAR
 | | 1.45 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis bound to Adenine | | Descriptor: | ADENINE, CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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3RBI
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4RQR
 | | Crystal Structure of Human Glutaredoxin with MESNA | | Descriptor: | 1-THIOETHANESULFONIC ACID, Glutaredoxin-1 | | Authors: | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
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3RBJ
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