5E1K
 
 | | Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia SAD data | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
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3E63
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E62
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3F71
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3EZG
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4D4X
 | | Nitrosyl complex of the D121I variant of cytochrome c prime from Alcaligenes xylosoxidans | | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | | Authors: | Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W. | | Deposit date: | 2014-10-31 | | Release date: | 2015-09-09 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
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4D4N
 | | Nitrosyl complex of the D121A variant of cytochrome c prime from Alcaligenes xylosoxidans | | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | | Authors: | Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W. | | Deposit date: | 2014-10-30 | | Release date: | 2015-09-09 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
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3B3A
 | | Structure of E163K/R145E DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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4PDJ
 | | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | | Deposit date: | 2014-04-18 | | Release date: | 2015-04-15 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3B38
 | | Structure of A104V DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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3B36
 | | Structure of M26L DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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3CYF
 | | Crystal Structure of E18N DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
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3CZ9
 | | Crystal Structure of E18L DJ-1 | | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Protein DJ-1 | | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. | | Deposit date: | 2008-04-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
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3CZA
 | | Crystal Structure of E18D DJ-1 | | Descriptor: | MALONIC ACID, Protein DJ-1 | | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hashim, S, Pozharski, E, Wilson, M.A. | | Deposit date: | 2008-04-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
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1SOA
 | | Human DJ-1 with sulfinic acid | | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | | Deposit date: | 2004-03-13 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization.
Proc.Natl.Acad.Sci.USA, 101, 2004
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5CAJ
 | | Crystal structure of E. coli YaaA, a member of the DUF328/UPF0246 family | | Descriptor: | BENZAMIDINE, CHLORIDE ION, UPF0246 protein YaaA | | Authors: | Prahlad, J, Lin, J, Wilson, M.A. | | Deposit date: | 2015-06-29 | | Release date: | 2016-02-24 | | Last modified: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The DUF328 family member YaaA is a DNA-binding protein with a novel fold.
J.Biol.Chem., 295, 2020
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4E08
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5E1P
 | | Ca(2+)-Calmodulin from Paramecium tetraurelia qFit disorder model | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
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5E1N
 | | Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia qFit disorder model | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
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4OQ4
 | | Crystal Structure of E18A Human DJ-1 | | Descriptor: | Protein DJ-1, SODIUM ION | | Authors: | Prahlad, J, Hauser, D.N, Milkovic, N.M, Cookson, M.R, Wilson, M.A. | | Deposit date: | 2014-02-07 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Use of cysteine-reactive cross-linkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers.
J Neurochem, 130, 2014
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4R8H
 | | The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, GLYCEROL, cAMP-activated global transcriptional regulator CRP | | Authors: | Townsend, P.D, Pohl, E, McLeish, T.C.B, Rodgers, T.L, Glover, L.C, Korhonen, H.J, Wilson, M.R, Hodgson, D.R.W, Cann, M.J. | | Deposit date: | 2014-09-02 | | Release date: | 2015-07-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein.
J.Biol.Chem., 290, 2015
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4S0Z
 | | Crystal structure of M26V human DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1 | | Authors: | Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2015-01-07 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
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4PTH
 | | Ensemble model for Escherichia coli dihydrofolate reductase at 100K | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | | Deposit date: | 2014-03-10 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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2OZR
 | | MMP13 Catalytic Domain Complexed with 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid | | Descriptor: | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Johnson, A.R, Pavlovsky, A.G, Ortwine, D.F, Prior, F, Man, C.-F, Bornemeier, D.A, Banotai, C.A, Mueller, W.T, McConnell, P, Yan, C.H, Baragi, V, Lesch, C, Roark, W.H, Lie, J.J, Fasquelle, V, Wilson, M, Robertson, D, Datta, K, Guzman, R, Han, H.-K, Dyer, R.D. | | Deposit date: | 2007-02-27 | | Release date: | 2007-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
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2OR3
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