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3RPI
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BU of 3rpi by Molmil
Crystal Structure of Fab from 3BNC60, Highly Potent anti-HIV Antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain from highly potent anti-HIV neutralizing antibody, Light chain from highly potent anti-HIV neutralizing antibody
Authors:Diskin, R, Bjorkman, P.J.
Deposit date:2011-04-26
Release date:2011-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Sequence and structural convergence of broad and potent HIV antibodies that mimic CD4 binding.
Science, 333, 2011
3U6S
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BU of 3u6s by Molmil
MutM set 1 TpG
Descriptor: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*AP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*TP*GP*GP*AP*(08Q)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
Authors:Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
Deposit date:2011-10-12
Release date:2012-04-25
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
3U80
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BU of 3u80 by Molmil
1.60 Angstrom Resolution Crystal Structure of a 3-Dehydroquinate Dehydratase-like Protein from Bifidobacterium longum
Descriptor: 3-dehydroquinate dehydratase, type II
Authors:Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-10-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a type II dehydroquinate dehydratase-like protein from Bifidobacterium longum.
J.Struct.Funct.Genom., 14, 2013
3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
Descriptor: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
3QIO
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BU of 3qio by Molmil
Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor
Descriptor: 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione, Gag-Pol polyprotein,Ribonuclease HI,Gag-Pol polyprotein, MANGANESE (II) ION, ...
Authors:Lansdon, E.B, Liu, Q.
Deposit date:2011-01-27
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4011 Å)
Cite:Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
3QXT
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BU of 3qxt by Molmil
Structure of an Anti-Methotrexate CDR1-3 Graft VHH Antibody in Complex with Methotrexate
Descriptor: Anti-Methotrexate CDR1-3 Graft VHH, METHOTREXATE, SODIUM ION
Authors:Fanning, S.W, Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXU
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BU of 3qxu by Molmil
Free Structure of an Anti-Methotrexate CDR1-3 Graft VHH Antibody
Descriptor: Anti-Methotrexate CDR1-3 Graft, FORMIC ACID
Authors:Fanning, S.W, Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXE
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BU of 3qxe by Molmil
Crystal Structure of Co-type Nitrile Hydratase from Pseudomonas putida.
Descriptor: COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ...
Authors:Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A.
Deposit date:2011-03-01
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
3QUZ
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BU of 3quz by Molmil
Structure of the mouse CD1d-NU-alpha-GalCer-iNKT TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M.
Deposit date:2011-02-24
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
3SW0
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BU of 3sw0 by Molmil
Structure of the C-terminal region (modules 18-20) of complement regulator Factor H
Descriptor: Complement factor H, GLYCEROL, PHOSPHATE ION
Authors:Morgan, H.P, Guariento, M, Schmidt, C.Q, Barlow, P.N, Hannan, J.P.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of the C-Terminal Region (Modules 18-20) of Complement Regulator Factor H (FH).
Plos One, 7, 2012
3SX4
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BU of 3sx4 by Molmil
Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ...
Authors:Klei, H.E.
Deposit date:2011-07-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
3SZV
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BU of 3szv by Molmil
Crystal structure of Pseudomonas aeruginosa OccK3 (OpdO)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Pyroglutatmate porin OpdO
Authors:Bert van den, B, Elif, E.
Deposit date:2011-07-19
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3U6D
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BU of 3u6d by Molmil
MutM set 1 GpGo
Descriptor: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*CP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*GP*(8OG)P*GP*AP*(TX)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
Authors:Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
Deposit date:2011-10-12
Release date:2012-04-25
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
3U65
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BU of 3u65 by Molmil
The Crystal Structure of Tat-P(T) (Tp0957)
Descriptor: 1,2-ETHANEDIOL, THIOCYANATE ION, Tp33 protein
Authors:Brautigam, C.A, Tomchick, D.R, Deka, R.K, Norgard, M.V.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter.
J.Mol.Biol., 416, 2012
3TNY
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BU of 3tny by Molmil
Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen
Descriptor: YfiY (ABC transport system substrate-binding protein), [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1- (hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron
Authors:Clifton, M.C.
Deposit date:2011-09-02
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3TO7
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BU of 3to7 by Molmil
Crystal structure of yeast Esa1 HAT domain bound to coenzyme A with active site lysine acetylated
Descriptor: CACODYLIC ACID, COENZYME A, GLYCEROL, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3U6C
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BU of 3u6c by Molmil
MutM set 1 ApGo
Descriptor: DNA (5'-D(*GP*GP*TP*AP*GP*AP*TP*CP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*CP*AP*(8OG)P*GP*AP*(TX)P*CP*TP*AP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
Authors:Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
Deposit date:2011-10-12
Release date:2012-04-25
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
3TLS
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BU of 3tls by Molmil
The GLIC pentameric Ligand-Gated Ion Channel E19'P mutant in a locally-closed conformation (LC2 subtype)
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-08-30
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3QQ8
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BU of 3qq8 by Molmil
Crystal structure of p97-N in complex with FAF1-UBX
Descriptor: CHLORIDE ION, FAS-associated factor 1, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-02-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
3Q61
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3'-Fluoro Hexitol Nucleic Acid DNA Structure
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(F3H)P*AP*CP*GP*C)-3')
Authors:Seth, P.R, Allerson, C.R, Prakash, T.P, Siwkowski, A, Berdeja, A, Yu, J, Pallan, P.S, Watt, A.T, Gaus, H, Bhat, B, Egli, M, Swayze, E.E.
Deposit date:2010-12-30
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Synthesis, improved antisense activity and structural rationale for the divergent RNA affinities of 3'-fluoro hexitol nucleic acid (FHNA and Ara-FHNA) modified oligonucleotides.
J.Am.Chem.Soc., 133, 2011
3RQC
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BU of 3rqc by Molmil
Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from Thermoplasma acidophilum
Descriptor: Probable lipoamide acyltransferase
Authors:Marrott, N.L, Crennell, S.J, Hough, D.W, Danson, M.J, van den Elsen, J.M.H.
Deposit date:2011-04-28
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:The catalytic core of an archaeal 2-oxoacid dehydrogenase multienzyme complex is a 42-mer protein assembly.
Febs J., 279, 2012
3U6P
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BU of 3u6p by Molmil
MutM set 1 GpG
Descriptor: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*CP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*GP*GP*GP*AP*(08Q)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
Authors:Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
Deposit date:2011-10-12
Release date:2012-04-25
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
3TOB
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BU of 3tob by Molmil
Human MOF E350Q crystal structure with active site lysine partially acetylated
Descriptor: CHLORIDE ION, ZINC ION, histone acetyltransferase MYST1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TY0
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BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
Descriptor: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
Deposit date:2011-09-23
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
3U6L
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BU of 3u6l by Molmil
MutM set 2 CpGo
Descriptor: DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*(8OG)P*GP*TP*(CX2)P*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
Authors:Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
Deposit date:2011-10-12
Release date:2012-04-25
Last modified:2017-01-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012

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