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7CG8
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BU of 7cg8 by Molmil
Structure of the sensor domain (short construct) of the anti-sigma factor RsgI4 in Pseudobacteroides cellulosolvens
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, ACETATE ION, Anti-sigma factor RsgI, ...
Authors:Dong, S, Feng, Y.
Deposit date:2020-06-30
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the sensor domain of the anti-sigma factor RsgI4 in Pseudobacteroides cellulosolvens
To Be Published
4DDK
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BU of 4ddk by Molmil
Pantothenate synthetase in complex with 1,3-benzodioxole-5-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 1,3-benzodioxole-5-carboxylic acid, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-18
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
7CFZ
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BU of 7cfz by Molmil
SH3 domain of NADPH oxidase activator 1
Descriptor: NADPH oxidase activator 1
Authors:Kim, M, Park, J.H, Attri, P, Lee, W.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural modification of NADPH oxidase activator (Noxa 1) by oxidative stress: An experimental and computational study.
Int.J.Biol.Macromol., 163, 2020
7CPS
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BU of 7cps by Molmil
A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
Descriptor: 4'-EPIDOXORUBICIN, DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3')
Authors:Barthwal, R, Tariq, Z, Pandav, K.
Deposit date:2020-08-07
Release date:2021-08-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
To Be Published
7CSK
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BU of 7csk by Molmil
A 2:1 stoichiometric complex of anticancer drug Adriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
Descriptor: DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3'), DOXORUBICIN
Authors:Barthwal, R, Tariq, Z, Pandav, K.
Deposit date:2020-08-15
Release date:2021-08-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A 2:1 stoichiometric complex of anticancer drug Adriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
To Be Published
4DDH
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BU of 4ddh by Molmil
Pantothenate synthetase in complex with 6-methoxy-1-benzofuran-3-yl acetic acid
Descriptor: (6-methoxy-1-benzofuran-3-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-18
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
7C36
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BU of 7c36 by Molmil
c-Myc DNA binding protein structure
Descriptor: RNA-binding motif, single-stranded-interacting protein 1
Authors:Aggarwal, P, Bhavesh, N.S.
Deposit date:2020-05-11
Release date:2021-05-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Hinge like domain motion facilitates human RBMS1 protein binding to proto-oncogene c-myc promoter.
Nucleic Acids Res., 49, 2021
4EOW
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BU of 4eow by Molmil
Crystal structure of a disease-associated anti-human GM-CSF autoantibody MB007
Descriptor: MB007 IgG1 Fab fragment light chain, MB007 human IgG1 Fab fragment heavy chain
Authors:Blech, M.
Deposit date:2012-04-16
Release date:2012-08-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Molecular structure of human GM-CSF in complex with a disease-associated anti-human GM-CSF autoantibody and its potential biological implications.
Biochem.J., 447, 2012
7CCN
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BU of 7ccn by Molmil
The binding structure of a lanthanide binding tag (LBT3) with lutetium ion (Lu3+)
Descriptor: LBT3, LUTETIUM (III) ION
Authors:Hatanaka, T, Kikkawa, N, Matsugami, A, Hosokawa, Y, Hayashi, F, Ishida, N.
Deposit date:2020-06-17
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The origins of binding specificity of a lanthanide ion binding peptide.
Sci Rep, 10, 2020
7DFM
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BU of 7dfm by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
4EO1
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BU of 4eo1 by Molmil
crystal structure of the TolA binding domain from the filamentous phage IKe
Descriptor: Attachment protein G3P, MAGNESIUM ION
Authors:Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X.
Deposit date:2012-04-13
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and energetic basis of infection by the filamentous bacteriophage IKe.
Mol.Microbiol., 84, 2012
7DFN
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BU of 7dfn by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with alpha-L-arabinofuranosyl xylotetraose
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase, SODIUM ION, ...
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
7DFO
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BU of 7dfo by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with 4-O-methyl-alpha-D-glucuronopyranosyl xylotetraose
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, CHLORIDE ION, ...
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
4F25
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BU of 4f25 by Molmil
Crystal structure of the second RRM domain of human PABPC1 at pH 6.0
Descriptor: Polyadenylate-binding protein 1
Authors:Kozlov, G, Safaee, N, Gehring, K.
Deposit date:2012-05-07
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interdomain Allostery Promotes Assembly of the Poly(A) mRNA Complex with PABP and eIF4G.
Mol.Cell, 48, 2012
4F9Z
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BU of 4f9z by Molmil
Crystal Structure of human ERp27
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ...
Authors:Kober, F.X, Koelmel, W, Kuper, J, Schindelin, H.
Deposit date:2012-05-21
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of the Protein-Disulfide Isomerase Family Member ERp27 Provides Insights into Its Substrate Binding Capabilities.
J.Biol.Chem., 288, 2013
4FBR
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BU of 4fbr by Molmil
Crystal structure of the Myxococcus Xanthus hemagglutinin (MBHA)
Descriptor: Myxobacterial hemagglutinin
Authors:Koharudin, L.M.I, Gronenborn, A.M.
Deposit date:2012-05-23
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Anti-HIV Activity of the Oscillatoria agardhii Agglutinin Homolog Lectin Family.
J.Biol.Chem., 287, 2012
4FCQ
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BU of 4fcq by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Descriptor: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha
Authors:Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FBO
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BU of 4fbo by Molmil
Crystal structure of the Pseudomonas fluorescens agglutinin (PFA)
Descriptor: Pseudomonas fluorescens agglutinin
Authors:Koharudin, L.M.I, Gronenborn, A.M.
Deposit date:2012-05-23
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into the Anti-HIV Activity of the Oscillatoria agardhii Agglutinin Homolog Lectin Family.
J.Biol.Chem., 287, 2012
4FIB
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BU of 4fib by Molmil
Crystal structure of the ydhK protein from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR518A.
Descriptor: Uncharacterized protein ydhK
Authors:Vorobiev, S, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Owens, L.A, Cunningham, K, Zhao, L, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-08
Release date:2012-06-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystal structure of the ydhK protein from Bacillus subtilis.
To be Published
4FNH
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BU of 4fnh by Molmil
Crystal structure of IsdI-W66Y in complex with heme
Descriptor: Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2012-06-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
4FQG
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BU of 4fqg by Molmil
Crystal structure of the TCERG1 FF4-6 tandem repeat domain
Descriptor: CHLORIDE ION, NICKEL (II) ION, Transcription elongation regulator 1
Authors:Liu, J, Fan, S, Lee, C.J, Greenleaf, A.L, Zhou, P.
Deposit date:2012-06-25
Release date:2013-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specific Interaction of the Transcription Elongation Regulator TCERG1 with RNA Polymerase II Requires Simultaneous Phosphorylation at Ser2, Ser5, and Ser7 within the Carboxyl-terminal Domain Repeat.
J.Biol.Chem., 288, 2013
4FHB
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BU of 4fhb by Molmil
Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179)
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Oyen, D.
Deposit date:2012-06-06
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4FCP
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BU of 4fcp by Molmil
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Descriptor: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4CJ6
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BU of 4cj6 by Molmil
Crystal structure of the complex of the Cellular Retinal Binding Protein Mutant R234W with 9-cis-retinal
Descriptor: RETINAL, RETINALDEHYDE-BINDING PROTEIN 1
Authors:Bolze, C.S, Helbling, R.E, Owen, R.L, Pearson, A.R, Pompidor, G, Dworkowski, F, Fuchs, M.R, Furrer, J, Golczak, M, Palczewski, K, Cascella, M, Stocker, A.
Deposit date:2013-12-19
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity.
J.Am.Chem.Soc., 136, 2014
4CMW
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BU of 4cmw by Molmil
Crystal structure of Rv3378c
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
Deposit date:2014-01-18
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014

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