3VXJ
 
 | | Dye-decolorizing peroxidase (DyP) complex with 2,6-dimethoxyphenol | | Descriptor: | 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Sugano, Y, Yoshida, T, Tsuge, H. | | Deposit date: | 2012-09-14 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Dye-decolorizing peroxidase (DyP) complex with 2,6-dimethoxyphenol
to be published
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3VRV
 | | VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. | | Deposit date: | 2012-04-14 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
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4QJL
 | | Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT | | Descriptor: | COENZYME A, MAGNESIUM ION, Phosphopantetheinyl transferase, ... | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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3W0A
 | | Crystal Structure Analysis of Vitamin D receptor | | Descriptor: | (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor | | Authors: | Itoh, S, Iijima, S. | | Deposit date: | 2012-10-25 | | Release date: | 2013-11-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | structure analysis of vitamin D3 receptor
To be Published
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4QK3
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4QL7
 | | Crystal structure of C-terminus truncated Alkylhydroperoxide Reductase subunit C (AhpC1-172) from E. coli | | Descriptor: | Alkylhydroperoxide Reductase subunit C | | Authors: | Kamariah, N, Gruber, G, Eisenhaber, F, Eisenhaber, B. | | Deposit date: | 2014-06-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Key roles of the Escherichia coli AhpC C-terminus in assembly and catalysis of alkylhydroperoxide reductase, an enzyme essential for the alleviation of oxidative stress.
Biochim.Biophys.Acta, 1837, 2014
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3W1J
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | Descriptor: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VW2
 | | Crystal Strucuture of The Berberine-bound Form of RamR (Transcriptional Regurator of TetR Family) from Salmonella Typhimurium | | Descriptor: | BERBERINE, Putative regulatory protein, SULFATE ION | | Authors: | Sakurai, K, Nikaido, E, Nakashima, R, Yamasaki, S, Yamaguchi, A, Nishino, K. | | Deposit date: | 2012-07-30 | | Release date: | 2013-07-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | The crystal structure of multidrug-resistance regulator RamR with multiple drugs
Nat Commun, 4, 2013
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4QNS
 | | Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase GCN5, ... | | Authors: | Fonseca, M, Tallant, C, Knapp, S, Loppnau, P, von Delft, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300
TO BE PUBLISHED
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3W1I
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4LYI
 | | Crystal Structure of apo-BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... | | Authors: | Wohlwend, D. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4QQI
 | | Crystal structure of ANKRA2-RFX7 complex | | Descriptor: | Ankyrin repeat family A protein 2, DNA-binding protein RFX7, SULFATE ION, ... | | Authors: | Xu, C, Tempel, W, Dong, A, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of ANKRA2-RFX7 complex
To Be Published
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4QSB
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-07-03 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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4LZS
 | | Crystal Structure of BRD4(1) bound to inhibitor XD46 | | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | | Deposit date: | 2013-08-01 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4QSI
 | | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2014-07-04 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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3W4K
 | | Crystal Structure of human DAAO in complex with coumpound 13 | | Descriptor: | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | | Deposit date: | 2013-01-09 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
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3W5I
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3W5X
 | | MamM-CTD | | Descriptor: | Magnetosome protein MamM, SULFATE ION | | Authors: | Zeytuni, N, Davidov, G, Zarivach, R. | | Deposit date: | 2013-02-10 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cation diffusion facilitators transport initiation and regulation is mediated by cation induced conformational changes of the cytoplasmic domain
Plos One, 9, 2014
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3W64
 | | MamM-CTD 215-293 | | Descriptor: | Magnetosome protein MamM, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Zeytuni, N, Davidov, G, Zarivach, R. | | Deposit date: | 2013-02-10 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Cation diffusion facilitators transport initiation and regulation is mediated by cation induced conformational changes of the cytoplasmic domain
Plos One, 9, 2014
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4QRK
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4QRR
 | | Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Chabrol, E, Rossjohn, J. | | Deposit date: | 2014-07-02 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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4KZN
 | | crystal structure of human VEGF-A receptor binding domain | | Descriptor: | SULFATE ION, TRIETHYLENE GLYCOL, Vascular endothelial growth factor A, ... | | Authors: | Liaw, Y.C. | | Deposit date: | 2013-05-30 | | Release date: | 2014-06-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7114 Å) | | Cite: | Structural Basis for the Bivalent Glycosylated Human VEGF-A121 and VEGF-A165 in recruiment of Receptor and Co-receptor
to be published
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4L8V
 | | Crystal Structure of A12K/D35S mutant myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NADP | | Descriptor: | 1,2-ETHANEDIOL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-06-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Converting NAD-Specific Inositol Dehydrogenase to an Efficient NADP-Selective Catalyst, with a Surprising Twist.
Biochemistry, 52, 2013
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3W93
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