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4K1X
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BU of 4k1x by Molmil
Ferredoxin-NADP(H) Reductase mutant with Ala 266 replaced by Tyr (A266Y) and residues 267-272 deleted.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH:ferredoxin reductase, SULFATE ION
Authors:Bortolotti, A, Sanchez-Azqueta, A, Maya, C.M, Velazquez-Campoy, A, Hermoso, J.A, Cortez, N.
Deposit date:2013-04-06
Release date:2013-11-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C-terminal extension of bacterial flavodoxin-reductases: Involvement in the hydride transfer mechanism from the coenzyme.
Biochim.Biophys.Acta, 1837, 2013
3ZKF
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BU of 3zkf by Molmil
Structure of LC8 in complex with Nek9 phosphopeptide
Descriptor: DYNEIN LIGHT CHAIN 1, CYTOPLASMIC, NEK9 PROTEIN
Authors:Gallego, P, Velazquez-Campoy, A, Regue, L, Roig, J, Reverter, D.
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2013-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation
J.Biol.Chem., 288, 2013
5U5R
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BU of 5u5r by Molmil
Crystal Structure and X-ray Diffraction Data Collection of Importin-alpha from Mus musculus Complexed with a PMS2 NLS Peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Importin subunit alpha-1, Mismatch repair endonuclease PMS2
Authors:Barros, A.C, Takeda, A.A, Dreyer, T.R, Velazquez-Campoy, A, Kobe, B, Fontes, M.R.
Deposit date:2016-12-07
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA mismatch repair proteins MLH1 and PMS2 can be imported to the nucleus by a classical nuclear import pathway.
Biochimie, 146, 2018
5U5P
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BU of 5u5p by Molmil
Crystal Structure and X-ray Diffraction Data Collection of Importin-alpha from Mus Musculus Complexed with a MLH1 NLS Peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA mismatch repair protein Mlh1, Importin subunit alpha-1
Authors:Barros, A.C, Takeda, A.A, Dreyer, T.R, Velazquez-Campoy, A, Kobe, B, Fontes, M.R.
Deposit date:2016-12-07
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:DNA mismatch repair proteins MLH1 and PMS2 can be imported to the nucleus by a classical nuclear import pathway.
Biochimie, 146, 2018
1MSN
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BU of 1msn by Molmil
The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with KNI-764 (an inhibitor)
Descriptor: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
Authors:Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
Deposit date:2002-09-19
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
3ZM9
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BU of 3zm9 by Molmil
The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor
Descriptor: 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA
Authors:Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R.
Deposit date:2013-02-06
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
3ZGZ
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BU of 3zgz by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and toxic moiety from agrocin 84 (TM84) in aminoacylation-like conformation
Descriptor: LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU UAA ISOACCEPTOR, ...
Authors:Chopra, S, Palencia, A, Virus, C, Tripathy, A, Temple, B.R, Velazquez-Campoy, A, Cusack, S, Reader, J.S.
Deposit date:2012-12-19
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant Tumour Biocontrol Agent Employs a tRNA-Dependent Mechanism to Inhibit Leucyl-tRNA Synthetase
Nat.Commun., 4, 2013
4BR3
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BU of 4br3 by Molmil
Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies
Descriptor: 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ...
Authors:Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R.
Deposit date:2013-06-03
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies
Chembiochem, 14, 2013
5LJI
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BU of 5lji by Molmil
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J.
Deposit date:2016-07-18
Release date:2016-08-31
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
5LJL
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BU of 5ljl by Molmil
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
Descriptor: Flavodoxin, PHOSPHATE ION
Authors:Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J.
Deposit date:2016-07-18
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
1MRX
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BU of 1mrx by Molmil
Structure of HIV protease (Mutant Q7K L33I L63I V82F I84V ) complexed with KNI-577
Descriptor: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
Authors:Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
Deposit date:2002-09-18
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
1MRW
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BU of 1mrw by Molmil
Structure of HIV protease (Mutant Q7K L33I L63I) complexed with KNI-577
Descriptor: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
Authors:Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
Deposit date:2002-09-18
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
1MSM
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BU of 1msm by Molmil
The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor)
Descriptor: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
Authors:Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
Deposit date:2002-09-19
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
6YI9
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BU of 6yi9 by Molmil
Crystal structure of the rat cytosolic PCK1, acetylated on Lys244
Descriptor: 1,2-ETHANEDIOL, Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Authors:Latorre-Muro, P, Baeza, J, Hurtado-Guerrero, R, Hicks, T, Delso, I, Hernandez-Ruiz, C, Velazquez-Campoy, A, Lawton, A.J, Angulo, J, Denu, J.M, Carrodeguas, J.A.
Deposit date:2020-04-01
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity.
J.Biol.Chem., 296, 2021
3ZKE
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BU of 3zke by Molmil
Structure of LC8 in complex with Nek9 peptide
Descriptor: DYNEIN LIGHT CHAIN 1, CYTOPLASMIC, NEK9 PROTEIN
Authors:Gallego, P, Velazquez-Campoy, A, Regue, L, Roig, J, Reverter, D.
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation
J.Biol.Chem., 288, 2013
4UZE
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BU of 4uze by Molmil
R66A 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:2014-09-05
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Quaternary Organization in a Bifunctional Prokaryotic Fad Synthetase: Involvement of an Arginine at its Adenylyltransferase Module on the Riboflavin Kinase Activity.
Biochim.Biophys.Acta, 1854, 2015
4UZF
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BU of 4uzf by Molmil
R66E 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:2014-09-05
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quaternary Organization in a Bifunctional Prokaryotic Fad Synthetase: Involvement of an Arginine at its Adenylyltransferase Module on the Riboflavin Kinase Activity.
Biochim.Biophys.Acta, 1854, 2015
3G05
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BU of 3g05 by Molmil
Crystal structure of N-terminal domain (2-550) of E.coli MnmG
Descriptor: SULFATE ION, tRNA uridine 5-carboxymethylaminomethyl modification enzyme mnmG
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2009-01-27
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme.
J.Bacteriol., 191, 2009
2W5U
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BU of 2w5u by Molmil
Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
Authors:Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J.
Deposit date:2008-12-12
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
5G1N
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BU of 5g1n by Molmil
Aspartate transcarbamoylase domain of human CAD bound to PALA
Descriptor: 1,2-ETHANEDIOL, CAD PROTEIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
Authors:Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S.
Deposit date:2016-03-29
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
5G1O
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BU of 5g1o by Molmil
Aspartate transcarbamoylase domain of human CAD in apo form
Descriptor: 1,2-ETHANEDIOL, CAD protein, GLYCEROL
Authors:Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S.
Deposit date:2016-03-29
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
5G1P
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BU of 5g1p by Molmil
Aspartate transcarbamoylase domain of human CAD bound to carbamoyl phosphate
Descriptor: CAD PROTEIN, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
Authors:Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S.
Deposit date:2016-03-29
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
5YDX
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BU of 5ydx by Molmil
NMR structure of YAP1-2 WW1 domain with LATS1 PPxY motif complex
Descriptor: WW domain with PPxY motif
Authors:Fan, J.S, Sivaraman, J.
Deposit date:2017-09-15
Release date:2018-05-02
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Biophysical studies and NMR structure of YAP2 WW domain - LATS1 PPxY motif complexes reveal the basis of their interaction.
Oncotarget, 9, 2018
5YDY
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BU of 5ydy by Molmil
NMR structure of YAP1-2 WW2 domain with LATS1 PPxY motif complex
Descriptor: WW2 domain and PPxY motif complex
Authors:Fan, J.S, Sivaraman, J.
Deposit date:2017-09-15
Release date:2018-05-02
Last modified:2019-05-22
Method:SOLUTION NMR
Cite:Biophysical studies and NMR structure of YAP2 WW domain - LATS1 PPxY motif complexes reveal the basis of their interaction.
Oncotarget, 9, 2018
6HWN
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BU of 6hwn by Molmil
Structure of Thermus thermophilus ClpP in complex with a tripeptide.
Descriptor: ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, Unknown tripeptide
Authors:Felix, J, Schanda, P, Fraga, H, Morlot, C.
Deposit date:2018-10-12
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.
Sci Adv, 5, 2019

 

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