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5FO1
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BU of 5fo1 by Molmil
E301A mutant of FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Martinez-Julvez, M, Herguedas, B, Milagros, M.
Deposit date:2015-11-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The trimer interface in the quaternary structure of the bifunctional prokaryotic FAD synthetase from Corynebacterium ammoniagenes.
Sci Rep, 7, 2017
5FO0
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BU of 5fo0 by Molmil
D298E mutant of FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Martinez-Julvez, M, Herguedas, B, Milagros, M.
Deposit date:2015-11-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The trimer interface in the quaternary structure of the bifunctional prokaryotic FAD synthetase from Corynebacterium ammoniagenes.
Sci Rep, 7, 2017
5FNZ
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BU of 5fnz by Molmil
F206W mutant of FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Martinez-Julvez, M, Herguedas, B, Milagros, M.
Deposit date:2015-11-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The trimer interface in the quaternary structure of the bifunctional prokaryotic FAD synthetase from Corynebacterium ammoniagenes.
Sci Rep, 7, 2017
3ZC3
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BU of 3zc3 by Molmil
FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M.
Deposit date:2012-11-15
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency.
Biochim.Biophys.Acta, 1837, 2013
4BUR
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BU of 4bur by Molmil
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
Descriptor: APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-23
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
4BV6
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BU of 4bv6 by Molmil
Refined crystal structure of the human Apoptosis inducing factor
Descriptor: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-25
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
3ZBT
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BU of 3zbt by Molmil
Ferredoxin-NADP Reductase Mutant with SER 59 Replaced by ALA (S59A)
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M.
Deposit date:2012-11-13
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency.
Biochim.Biophys.Acta, 1837, 2013
3ZBU
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BU of 3zbu by Molmil
Ferredoxin-NADP Reductase Mutant with SER 80 Replaced by ALA (S80A)
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M.
Deposit date:2012-11-13
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency.
Biochim.Biophys.Acta, 1837, 2013
2V5U
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BU of 2v5u by Molmil
I92A FLAVODOXIN FROM ANABAENA
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Martinez-Julvez, M, Herguedas, B, Frago, S, Serrano, A, Molina, R, Hamiaux, C, Schierbeek, B, Medina, M, Hermoso, J.A.
Deposit date:2007-07-10
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin.
Arch.Biochem.Biophys., 467, 2007
4EZ8
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BU of 4ez8 by Molmil
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4EIN
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BU of 4ein by Molmil
Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
PTERIDINES, 2013
1YR3
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BU of 1yr3 by Molmil
Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
Descriptor: SULFATE ION, XANTHINE, Xanthosine phosphorylase
Authors:Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
Deposit date:2005-02-03
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
1YQU
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BU of 1yqu by Molmil
Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
Descriptor: GUANINE, PHOSPHATE ION, Xanthosine phosphorylase
Authors:Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
Deposit date:2005-02-02
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
1YQQ
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BU of 1yqq by Molmil
Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
Descriptor: GUANINE, PHOSPHATE ION, Xanthosine phosphorylase
Authors:Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
Deposit date:2005-02-02
Release date:2005-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Escherichia coli Purine Nucleoside Phosphorylase II, the Product of the xapA Gene
J.Mol.Biol., 348, 2005
3ROC
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BU of 3roc by Molmil
Crystal structure of human p38 alpha complexed with a pyrimidinone compound
Descriptor: 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Shieh, H.-S, Xing, L.
Deposit date:2011-04-25
Release date:2011-06-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
9EN6
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BU of 9en6 by Molmil
Crystal structure of RNA G2C4 repeats - native model pH 6.5
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Mateja-Pluta, M, Kiliszek, A.
Deposit date:2024-03-12
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (0.918 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
Descriptor: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Skene, R.J, Lane, W.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
5EVO
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BU of 5evo by Molmil
Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site
Descriptor: ACETATE ION, Dehydroascorbate reductase, GLYCEROL
Authors:Kumar, A.O, Das, B.K, Arockiasamy, A.
Deposit date:2015-11-20
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
7F8S
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BU of 7f8s by Molmil
Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms.
Descriptor: Dehydroascorbate reductase, SULFATE ION
Authors:Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A.
Deposit date:2021-07-02
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
8QMH
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BU of 8qmh by Molmil
Crystal structure of RNA G2C4 repeats in complex with small synthetic molecule ANP77
Descriptor: 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide, CHLORIDE ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Kiliszek, A, Ryczek, M, Blaszczyk, L.
Deposit date:2023-09-22
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
8QMI
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BU of 8qmi by Molmil
Crystal structure of RNA G2C4 repeats - native model
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Blaszczyk, L, Kiliszek, A.
Deposit date:2023-09-22
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
6PZB
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BU of 6pzb by Molmil
Cryo-EM structure of the pancreatic beta-cell SUR1 Apo state
Descriptor: ATP-binding cassette sub-family C member 8
Authors:Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W.
Deposit date:2019-07-31
Release date:2019-08-14
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
6PZI
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BU of 6pzi by Molmil
Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP only
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8
Authors:Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W.
Deposit date:2019-07-31
Release date:2019-08-14
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019

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