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2Z8N
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BU of 2z8n by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein, SULFATE ION
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
1X75
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BU of 1x75 by Molmil
CcdB:GyrA14 complex
Descriptor: Cytotoxic protein ccdB, DNA gyrase subunit A
Authors:Dao-Thi, M.H, Van Melderen, L, De Genst, E, Wyns, L, Loris, R.
Deposit date:2004-08-13
Release date:2005-05-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Basis of Gyrase Poisoning by the Addiction Toxin CcdB
J.Mol.Biol., 348, 2005
3CJN
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BU of 3cjn by Molmil
Crystal structure of transcriptional regulator, MarR family, from Silicibacter pomeroyi
Descriptor: PHOSPHATE ION, Transcriptional regulator, MarR family
Authors:Chang, C, Volkart, L, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-13
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of MarR family transcriptional regulator from Silicibacter pomeroyi.
To be Published
3CWI
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BU of 3cwi by Molmil
Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR137
Descriptor: Thiamine-biosynthesis protein ThiS
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Maglaqui, M, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-04-21
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens.
To be Published
3CON
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BU of 3con by Molmil
Crystal structure of the human NRAS GTPase bound with GDP
Descriptor: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Shen, L, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-03-28
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal structure of the human NRAS GTPase bound with GDP.
To be Published
3CEW
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BU of 3cew by Molmil
Crystal structure of a cupin protein (BF4112) from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR205
Descriptor: Uncharacterized cupin protein, ZINC ION
Authors:Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Wang, H, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-29
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of a cupin protein (BF4112) from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR205.
To be Published
3CNW
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BU of 3cnw by Molmil
Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
Descriptor: Protein XoxI
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-03-26
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
To Be Published
3D3Q
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BU of 3d3q by Molmil
Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR100
Descriptor: tRNA delta(2)-isopentenylpyrophosphate transferase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-12
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis.
To be Published
3CEI
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BU of 3cei by Molmil
Crystal Structure of Superoxide Dismutase from Helicobacter pylori
Descriptor: FE (III) ION, SULFATE ION, Superoxide dismutase
Authors:Esposito, L, Seydel, A, Aiello, R, Sorrentino, G, Cendron, L, Zanotti, G, Zagari, A.
Deposit date:2008-02-29
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Biochim.Biophys.Acta, 1784, 2008
3COL
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BU of 3col by Molmil
Crystal structure of putative transcription regulator from Lactobacillus plantarum
Descriptor: GLYCEROL, Putative transcription regulator
Authors:Chang, C, Bigelow, L, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-28
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of putative transcription regulator from Lactobacillus plantarum.
To be Published
7BHJ
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BU of 7bhj by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00084774
To Be Published
7BKA
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BU of 7bka by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD01870824
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 4-ethylbenzenesulfonamide, DIMETHYL SULFOXIDE
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-15
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa
To Be Published
7BIS
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BU of 7bis by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00082063
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-13
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00082063
To Be Published
7BK9
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BU of 7bk9 by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00078426
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid
Authors:Moynie, L, Naismith, J.H, Robinson, D.A.
Deposit date:2021-01-15
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa
To Be Published
5A86
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BU of 5a86 by Molmil
Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist
Descriptor: 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, NUCLEAR RECEPTOR COACTIVATOR 1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2
Authors:Xue, Y, Oster, L.
Deposit date:2015-07-13
Release date:2015-10-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.
J.Med.Chem., 58, 2015
7BN7
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BU of 7bn7 by Molmil
Crystal structure of ene-reductase OYE2 from S. cerevisiae
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, OYE2 isoform 1
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-21
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BO0
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BU of 7bo0 by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone
Descriptor: 5-methyl-3~{H}-furan-2-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BN6
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BU of 7bn6 by Molmil
Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone
Descriptor: (2~{R})-2-methyl-2~{H}-furan-5-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-21
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BLF
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BU of 7blf by Molmil
Crystal structure of ene-reductase OYE4 from Botryotinia fuckeliana (BfOYE4)
Descriptor: FLAVIN MONONUCLEOTIDE, FORMIC ACID, Oxidored_FMN domain-containing protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-18
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
5WVZ
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BU of 5wvz by Molmil
The crystal structure of Cren7 mutant L28F in complex with dsDNA
Descriptor: Chromatin protein Cren7, DNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3')
Authors:Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
Deposit date:2016-12-30
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
7C65
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BU of 7c65 by Molmil
Crystal structure of thioredoxin m1
Descriptor: SODIUM ION, Thioredoxin M1, chloroplastic
Authors:Kurisu, G, Juniar, L, Tanaka, H.
Deposit date:2020-05-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
7C6S
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BU of 7c6s by Molmil
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L, Feng, Y.
Deposit date:2020-05-22
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
5WJG
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BU of 5wjg by Molmil
Using sound pulses to solve the crystal harvesting bottleneck
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, L(+)-TARTARIC ACID, ...
Authors:Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L.
Deposit date:2017-07-22
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
7CLA
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BU of 7cla by Molmil
Crystal structure of HTH-type transcriptional regulator SkgA from Caulobacter crescentus
Descriptor: HTH-type transcriptional regulator SkgA
Authors:Jiang, X, Zhang, L, Teng, M, Li, X.
Deposit date:2020-07-20
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antibiotic binding releases autoinhibition of the TipA multidrug-resistance transcriptional regulator.
J.Biol.Chem., 295, 2020

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