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3PS3
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BU of 3ps3 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-053 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
3PXU
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BU of 3pxu by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A
Descriptor: DEPHOSPHO COENZYME A, GLYCEROL, Phosphopantetheine adenylyltransferase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-10
Release date:2010-12-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
3PSK
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BU of 3psk by Molmil
Crystal Structure of the Spt6 Tandem SH2 Domain from Saccharomyces cerevisiae, Form Native Spt6 (1247-1451)
Descriptor: SULFATE ION, Transcription elongation factor SPT6
Authors:Close, D, Hill, C.P.
Deposit date:2010-12-01
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the S. cerevisiae Spt6 core and C-terminal tandem SH2 domain.
J.Mol.Biol., 408, 2011
3FX0
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BU of 3fx0 by Molmil
Crystal structure of Human NEMO CC2_LZ domain
Descriptor: NF-kappa-B essential modulator
Authors:Lo, Y.C, Lin, S.C, Wu, H.
Deposit date:2009-01-19
Release date:2009-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for recognition of diubiquitins by NEMO.
Mol.Cell, 33, 2009
3G4Z
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BU of 3g4z by Molmil
Crystal Structure of NiSOD Y9F mutant at 1.9 A
Descriptor: BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni]
Authors:Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J.
Deposit date:2009-02-04
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution
Biochemistry, 48, 2009
3G5D
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BU of 3g5d by Molmil
Kinase domain of cSrc in complex with Dasatinib
Descriptor: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Grutter, C, Kluter, S, Rauh, D.
Deposit date:2009-02-05
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
3TBH
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BU of 3tbh by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase in complex with octapeptide derived from Serine Acetyl Transferase of Leishmania donovani
Descriptor: O-acetyl serine sulfhydrylase, SODIUM ION, Serine acetyl transferase derived octapeptide
Authors:Raj, I, Gourinath, S.
Deposit date:2011-08-06
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of O-Acetyl Serine Sulfhydrylase in complex with octapeptide derived from Serine Acetyl Transferase of Leishmania donovani
To be Published
4FL5
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BU of 4fl5 by Molmil
Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Schumacher, B, Ottmann, C.
Deposit date:2012-06-14
Release date:2013-12-11
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
FASEB J., 29, 2015
4D8C
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BU of 4d8c by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment
Descriptor: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4FI5
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BU of 4fi5 by Molmil
Crystal structure of the N-terminal domain of Hantaan virus strain 76-118 nucleoprotein
Descriptor: Nucleoprotein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-07
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the N-terminal domain of Hantaan virus strain 76-118 nucleoprotein
TO BE PUBLISHED
3FYR
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BU of 3fyr by Molmil
Crystal structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis
Descriptor: Sporulation inhibitor sda
Authors:Jacques, D.A, Streamer, M, King, G.F, Guss, J.M, Trewhella, J, Langley, D.B.
Deposit date:2009-01-23
Release date:2009-06-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis and insights into its solution state
Acta Crystallogr.,Sect.D, 65, 2009
4D8Y
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BU of 4d8y by Molmil
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group P212121 at pH 5.6
Descriptor: GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION
Authors:Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T.
Deposit date:2012-01-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
4FIC
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BU of 4fic by Molmil
Kinase domain of cSrc in complex with a hinge region-binding fragment
Descriptor: 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Richters, A, Rauh, D.
Deposit date:2012-06-08
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.
Acs Chem.Biol., 8, 2013
4FMV
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BU of 4fmv by Molmil
Crystal Structure Analysis of a GH30 Endoxylanase from Clostridium papyrosolvens C71
Descriptor: Glucuronoarabinoxylan endo-1,4-beta-xylanase
Authors:Bales, E.B, Smith, J.K, St John, F.J, Hurlbert, J.C.
Deposit date:2012-06-18
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel member of glycoside hydrolase family 30 subfamily 8 with altered substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
2P8I
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BU of 2p8i by Molmil
Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia xenovorans LB400 at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-03-22
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia xenovorans LB400 at 1.40 A resolution
To be published
3FZI
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BU of 3fzi by Molmil
1.9 Angstrom structure of the thermophilic exonuclease III homologue Mth0212
Descriptor: Exodeoxyribonuclease, MAGNESIUM ION
Authors:Lakomek, K, Dickmanns, A, Ficner, R.
Deposit date:2009-01-26
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA
J.Mol.Biol., 399, 2010
3TCV
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BU of 3tcv by Molmil
Crystal structure of a GCN5-related N-acetyltransferase from Brucella melitensis
Descriptor: GCN5-related N-acetyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-09
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a GCN5-related N-acetyltransferase from Brucella melitensis
To be Published
3TDE
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BU of 3tde by Molmil
Crystal structure of S-adenosylmethionine synthetase Rv1392 from Mycobacterium tuberculosis
Descriptor: S-adenosylmethionine synthase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-10
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FJO
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BU of 4fjo by Molmil
Structure of the Rev1 CTD-Rev3/7-Pol kappa RIR complex
Descriptor: DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
Authors:Wojtaszek, J, Lee, C.-J, Zhou, P.
Deposit date:2012-06-11
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric Pol zeta and Pol kappa
J.Biol.Chem., 287, 2012
4FOF
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BU of 4fof by Molmil
Crystal Structure of the blue-light absorbing form of the Thermosynechococcus elongatus PixJ GAF-domain
Descriptor: Methyl-accepting chemotaxis protein, Phycoviolobilin, blue light-absorbing form, ...
Authors:Burgie, E.S, Walker, J.M, Phillips Jr, G.N, Vierstra, R.D.
Deposit date:2012-06-20
Release date:2013-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.416 Å)
Cite:A Photo-Labile Thioether Linkage to Phycoviolobilin Provides the Foundation for the Blue/Green Photocycles in DXCF-Cyanobacteriochromes.
Structure, 21, 2013
2PA8
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BU of 2pa8 by Molmil
X-Ray Crystal Structure of the D/L Subcomplex of the Sulfolobus Solfataricus RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit D, DNA-directed RNA polymerase subunit L, FE3-S4 CLUSTER, ...
Authors:Hirata, A, Murakami, K.S.
Deposit date:2007-03-27
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The X-ray crystal structure of RNA polymerase from Archaea.
Nature, 451, 2008
3GAH
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BU of 3gah by Molmil
Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2009-02-17
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
4FOY
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BU of 4foy by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-(Benzylammonio)ethanesulfonate
Descriptor: 2-(benzylamino)ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
3G1T
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BU of 3g1t by Molmil
CRYSTAL STRUCTURE OF short chain dehydrogenase from Salmonella enterica subsp. enterica serovar Typhi str. CT18
Descriptor: MAGNESIUM ION, short chain dehydrogenase
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-01-30
Release date:2009-02-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CRYSTAL STRUCTURE OF short chain dehydrogenase from Salmonella enterica subsp. enterica serovar Typhi str. CT18
To be Published
4FPH
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BU of 4fph by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Fluorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-fluorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012

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