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4BN6
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BU of 4bn6 by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with chloramphenicol
Descriptor: CHLORAMPHENICOL, COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE
Authors:Oberholzer, A.E, Baumgartner, R, Waltersperger, S.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.462 Å)
Cite:Nitroreductase Cind from Lactococcus Lactis in Complex with Chloramphenicol
To be Published
3B4O
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BU of 3b4o by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, apo form
Descriptor: ACETATE ION, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3B4P
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BU of 3b4p by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)benzoic acid
Descriptor: 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ...
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
1SOT
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BU of 1sot by Molmil
Crystal Structure of the DegS stress sensor
Descriptor: Protease degS
Authors:Wilken, C, Kitzing, K, Kurzbauer, R, Ehrmann, M, Clausen, T.
Deposit date:2004-03-15
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the DegS stress sensor: How a PDZ domain recognizes misfolded protein and activates a protease
Cell(Cambridge,Mass.), 117, 2004
1RZM
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BU of 1rzm by Molmil
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHPS) from Thermotoga maritima complexed with Cd2+, PEP and E4P
Descriptor: CADMIUM ION, ERYTHOSE-4-PHOSPHATE, PHOSPHOENOLPYRUVATE, ...
Authors:Shumilin, I.A, Bauerle, R, Wu, J, Woodard, R.W, Kretsinger, R.H.
Deposit date:2003-12-24
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Reaction Complex of 3-Deoxy-d-arabino-heptulosonate-7-phosphate Synthase from Thermotoga maritima Refines the Catalytic Mechanism and Indicates a New Mechanism of Allosteric Regulation.
J.Mol.Biol., 341, 2004
1DNY
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BU of 1dny by Molmil
SOLUTION STRUCTURE OF PCP, A PROTOTYPE FOR THE PEPTIDYL CARRIER DOMAINS OF MODULAR PEPTIDE SYNTHETASES
Descriptor: NON-RIBOSOMAL PEPTIDE SYNTHETASE PEPTIDYL CARRIER PROTEIN
Authors:Weber, T, Baumgartner, R, Renner, C, Marahiel, M.A, Holak, T.A.
Deposit date:1999-12-17
Release date:2000-05-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide synthetases.
Structure Fold.Des., 8, 2000
1SOZ
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BU of 1soz by Molmil
Crystal Structure of DegS protease in complex with an activating peptide
Descriptor: Protease degS, activating peptide
Authors:Wilken, C, Kitzing, K, Kurzbauer, R, Ehrmann, M, Clausen, T.
Deposit date:2004-03-16
Release date:2004-06-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the DegS stress sensor: How a PDZ domain recognizes misfolded protein and activates a protease
Cell(Cambridge,Mass.), 117, 2004
1VCW
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BU of 1vcw by Molmil
Crystal structure of DegS after backsoaking the activating peptide
Descriptor: Protease degS
Authors:Wilken, C, Kitzing, K, Kurzbauer, R, Ehrmann, M, Clausen, T.
Deposit date:2004-03-16
Release date:2004-06-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of the DegS stress sensor: How a PDZ domain recognizes misfolded protein and activates a protease.
Cell(Cambridge,Mass.), 117, 2004
4BN7
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BU of 4bn7 by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with 2,6- dichlorophenolindophenol
Descriptor: 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE
Authors:Waltersperger, S, Baumgartner, R, Oberholzer, A.E.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Nitroreductase Cind from Lactococcus Lactis
To be Published
4BNB
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BU of 4bnb by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with 4- nitroquinoline 1-oxide
Descriptor: 4-NITROQUINOLINE 1-OXIDE, COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE
Authors:Waltersperger, S, Oberholzer, A.E, Baumgartner, R.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Nitroreductase Cind from Lactococcus Lactis in Complex with 2 4-Nitroquinoline 1-Oxidenone
To be Published
3DZL
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BU of 3dzl by Molmil
Crystal structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-3-oxocyclohexanecarboxylic acid
Descriptor: (1R)-3-oxocyclohexanecarboxylic acid, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2008-07-30
Release date:2008-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PhzA/B Catalyzes the Formation of the Tricycle in Phenazine Biosynthesis.
J.Am.Chem.Soc., 130, 2008
4BN8
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BU of 4bn8 by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with 4- nitrophenol
Descriptor: COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE, P-NITROPHENOL
Authors:Oberholzer, A.E, Waltersperger, S, Baumgartner, R.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Nitroreductase Cind from Lactococcus Lactis
To be Published
2WON
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BU of 2won by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type).
Descriptor: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
Authors:Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
Deposit date:2009-07-27
Release date:2010-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
2WOM
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BU of 2wom by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N).
Descriptor: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
Authors:Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
Deposit date:2009-07-27
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.
Antimicrob. Agents Chemother., 54, 2010
4ZXF
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BU of 4zxf by Molmil
Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog
Descriptor: 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ...
Authors:Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
3CNM
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BU of 3cnm by Molmil
Crystal Structure of Phenazine Biosynthesis Protein PhzA/B from Burkholderia cepacia R18194, DHHA complex
Descriptor: (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, ACETATE ION, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Blankenfeldt, W.
Deposit date:2008-03-26
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
8QMX
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BU of 8qmx by Molmil
OPR3 wildtype in complex with NADPH4
Descriptor: 12-oxophytodienoate reductase 3, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-25
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
8QN3
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BU of 8qn3 by Molmil
OPR3 wildtype in complex with NADH4
Descriptor: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Keschbaumer, B.
Deposit date:2023-09-25
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
2ABZ
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BU of 2abz by Molmil
Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Descriptor: Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION
Authors:Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S.
Deposit date:2005-07-18
Release date:2006-01-31
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005
4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
Descriptor: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
Authors:Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
5K3Y
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BU of 5k3y by Molmil
Crystal structure of AuroraB/INCENP in complex with BI 811283
Descriptor: Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
Authors:Bader, G, Zahn, S.K, Zoephel, A.
Deposit date:2016-05-20
Release date:2016-08-17
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
7BII
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BU of 7bii by Molmil
Crystal structure of Nematocida HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T.
Deposit date:2021-01-12
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.037 Å)
Cite:HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
6QDJ
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BU of 6qdj by Molmil
Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin
Descriptor: 1,4-BUTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Meinhart, A, Clausen, T, Arnese, R.
Deposit date:2019-01-02
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.884 Å)
Cite:Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin.
Nat Commun, 10, 2019
5D4W
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BU of 5d4w by Molmil
Crystal structure of Hsp104
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Putative heat shock protein
Authors:Heuck, A, Schitter-Sollner, S, Clausen, T.
Deposit date:2015-08-09
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the disaggregase activity and regulation of Hsp104.
Elife, 5, 2016
1ZFI
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BU of 1zfi by Molmil
Solution structure of the leech carboxypeptidase inhibitor
Descriptor: Metallocarboxypeptidase inhibitor
Authors:Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
Deposit date:2005-04-20
Release date:2005-09-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005

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