2YUD
 
 | | Solution structure of the YTH domain in YTH domain-containing protein 1 (Putative splicing factor YT521) | | Descriptor: | YTH domain-containing protein 1 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-06 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the YTH domain in YTH domain-containing protein 1 (Putative splicing factor YT521)
To be Published
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4DMR
 | | REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, DMSO REDUCTASE, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-30 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The high resolution crystal structure of DMSO reductase in complex with DMSO.
J.Mol.Biol., 275, 1998
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4RDB
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1P4D
 | | F factor TraI Relaxase Domain | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, TraI protein | | Authors: | Datta, S, Larkin, C, Schildbach, J.F. | | Deposit date: | 2003-04-22 | | Release date: | 2003-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into single-stranded DNA binding and cleavage by F factor TraI.
Structure, 11, 2003
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4R88
 | | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine | | Descriptor: | 1,2-ETHANEDIOL, 5-fluorocytosine, ACETIC ACID, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-08-29 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine
To be Published
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4IDA
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1Y3S
 | | HIV-1 DIS RNA subtype F- MPD form | | Descriptor: | 5'-R(*CP*UP*(5BU)P*GP*CP*UP*GP*AP*AP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, POTASSIUM ION | | Authors: | Ennifar, E, Dumas, P. | | Deposit date: | 2004-11-26 | | Release date: | 2005-11-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies.
J.Mol.Biol., 356, 2006
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4R2K
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4R1Y
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4R2J
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4IPB
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4QT3
 | | Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | | Deposit date: | 2014-07-07 | | Release date: | 2015-06-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
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4IR0
 | | Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames | | Descriptor: | 1,2-ETHANEDIOL, FOSFOMYCIN, Metallothiol transferase FosB 2, ... | | Authors: | Maltseva, N, Kim, Y, Jedrzejczak, R, Zhang, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
To be Published
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5T3B
 | | Crystal structure of BpGH50 | | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase | | Authors: | Giles, K, Pluvinage, B, Boraston, A.B. | | Deposit date: | 2016-08-25 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of a glycoside hydrolase family 50 enzyme from a subfamily that is enriched in human gut microbiome bacteroidetes.
Proteins, 85, 2017
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3GL0
 | | Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (DCSA) | | Descriptor: | 1,2-ETHANEDIOL, 3,6-dichloro-2-hydroxybenzoic acid, DdmC, ... | | Authors: | Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P. | | Deposit date: | 2009-03-11 | | Release date: | 2009-08-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
J.Mol.Biol., 392, 2009
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1KIY
 | | D100E trichodiene synthase | | Descriptor: | 1,2-ETHANEDIOL, trichodiene synthase | | Authors: | Rynkiewicz, M.J, Cane, D.E, Christianson, D.W. | | Deposit date: | 2001-12-03 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
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2L8C
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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3PGY
 | | Serine hydroxymethyltransferase from Staphylococcus aureus, S95P mutant. | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, GLYCINE, ... | | Authors: | Osipiuk, J, Makowska-Grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-11-02 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Serine hydroxymethyltransferase from Staphylococcus aureus, S95P mutant
To be Published
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1LID
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5FTV
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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4BDK
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | Descriptor: | 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ... | | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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7ATP
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5X18
 | | Crystal structure of Casein kinase I homolog 1 | | Descriptor: | Casein kinase I homolog 1, GLYCEROL, MALONIC ACID | | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
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5TLW
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