# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T23:21:13+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Biochemistry') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1506795","6.1115","0.0013","13.323","0.003","8.8714","0.0019","90","","93.246","0.004","90","","721.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C28 H38 N2 O8 S2 -","2","1","","Kawulka, Karen E.; Sprules, Tara; Diaper, Christopher M.; Whittal, Randy M.; McKay, Ryan T.; Mercier, Pascal; Zuber, Peter; Vederas, John C.","Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives.","Biochemistry","2004","43","12","3385","3395","10.1021/bi0359527","","","0.71073","MoKα","","0.0561","0.0483","","","0.1151","0.1187","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506796","13.4948","0.0019","13.8511","0.0019","23.133","0.003","93.354","0.003","100.455","0.003","119.018","0.002","3664","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 F12 N5 O2 P2 -","- C21 H17 F12 N5 O2 P2 -","- C126 H102 F72 N30 O12 P12 -","6","3","","Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.","DNA binding of an organic dppz-based intercalator.","Biochemistry","2004","43","43","13657","13665","10.1021/bi049146r","","","0.71073","MoKα","","0.1555","0.0919","","","0.2502","0.2958","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506797","4.5905","0.0012","12.887","0.004","25.03","0.007","90","","95.149","0.006","90","","1474.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.","DNA binding of an organic dppz-based intercalator.","Biochemistry","2004","43","43","13657","13665","10.1021/bi049146r","","","0.71073","MoKα","","0.1281","0.0792","","","0.2028","0.2402","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507647","13.9432","0.0007","5.24461","0.00018","11.9405","0.0005","90","","105.094","0.005","90","","843.04","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O S -","- C8 H11 N O S -","- C32 H44 N4 O4 S4 -","4","1","","Keceli, Gizem; Toscano, John P.","Reactivity of nitroxyl-derived sulfinamides.","Biochemistry","2012","51","20","4206","4216","10.1021/bi300015u","","","0.71073","MoKα","","0.036","0.0311","","","0.0837","0.0866","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508506","27.7209","0.0019","8.846","0.0002","17.442","0.0003","90","","105.179","0.007","90","","4127.9","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Cu N6 O7 S2 -","- C47 H42 Cu N6 O7 S2 -","- C188 H168 Cu4 N24 O28 S8 -","4","1","","Briggs, Breeze N.; Gaier, Abby J.; Fanwick, Phillip E.; Dogutan, Dilek K.; McMillin, David R.","Cationic copper(II) porphyrins intercalate into domains of double-stranded RNA.","Biochemistry","2012","51","38","7496","7505","10.1021/bi300828z","","","1.54184","CU-Kα","","0.091","0.06","","","0.135","0.171","","","","","","1.179","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1552500","5.8712","0.0002","15.8059","0.0005","9.0571","0.0003","90","","94.6669","0.0008","90","","837.71","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O4 S -","- C8 H7 N O4 S -","- C32 H28 N4 O16 S4 -","4","1","","Mcleod, Matthew J.; Krismanich, Anthony P.; Assoud, Abdeljalil; Dmitrienko, Gary I.; Holyoak, Todd","Characterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase.","Biochemistry","2019","58","37","3918","3926","10.1021/acs.biochem.9b00583","","","0.71073","MoKα","","0.0348","0.029","","","0.0745","0.0786","","","","","","1.064","","","","has coordinates","220331","2020-10-21","18:00:00",""
"1552501","32.35","0.02","6.672","0.004","8.016","0.005","90","","103.59","0.02","90","","1681.7","1.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H21 Cl N2 O5 -","- C18 H21 Cl N2 O5 -","- C72 H84 Cl4 N8 O20 -","4","1","","Shi, Taoda; Wijeratne, E. M. Kithsiri; Solano, Cristian; Ambrose, Andrew J.; Ross, Alison B.; Norwood, Charles; Orido, Charles K.; Grigoryan, Tigran; Tillotson, Joseph; Kang, Minjin; Luo, Gang; Keegan, Bradley M.; Hu, Wenhao; Blagg, Brian S. J.; Zhang, Donna D.; Gunatilaka, A. A. Leslie; Chapman, Eli","An Isoform-Selective PTP1B Inhibitor Derived from Nitrogen-Atom Augmentation of Radicicol.","Biochemistry","2019","58","30","3225","3231","10.1021/acs.biochem.9b00499","","","0.71073","MoKα","","0.0663","0.043","","","0.1062","0.1227","","","","","","0.802","","","","has coordinates","220332","2020-10-21","18:00:00",""