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3HQ7
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BU of 3hq7 by Molmil
CcpA from G. sulfurreducens, G94K/K97Q/R100I variant
Descriptor: CALCIUM ION, Cytochrome c551 peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hoffmann, M, Seidel, J, Einsle, O.
Deposit date:2009-06-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3HQ6
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BU of 3hq6 by Molmil
Cytochrome c peroxidase from G. sulfurreducens, wild type
Descriptor: CALCIUM ION, Cytochrome c551 peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hoffmann, M, Seidel, J, Einsle, O.
Deposit date:2009-06-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3HQ8
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BU of 3hq8 by Molmil
CcpA from G. sulfurreducens S134P/V135K variant
Descriptor: CALCIUM ION, Cytochrome c551 peroxidase, IMIDAZOLE, ...
Authors:Hoffmann, M, Seidel, J, Einsle, O.
Deposit date:2009-06-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3HQ9
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BU of 3hq9 by Molmil
CcpA from G. sulfurreducens, S134P variant
Descriptor: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Cytochrome c551 peroxidase, ...
Authors:Hoffmann, M, Seidel, J, Einsle, O.
Deposit date:2009-06-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3N2J
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BU of 3n2j by Molmil
Azurin H117G, oxidized form
Descriptor: Azurin, COPPER (II) ION
Authors:Hoffmann, M, Alagaratnam, S, Canters, G.W, Einsle, O.
Deposit date:2010-05-18
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Probing the reactivity of different forms of azurin by flavin photoreduction.
Febs J., 278, 2011
2OJ1
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BU of 2oj1 by Molmil
Disulfide-linked dimer of azurin N42C/M64E double mutant
Descriptor: Azurin, COPPER (II) ION
Authors:de Jongh, T.E, Hoffmann, M, Einsle, O, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W.
Deposit date:2007-01-12
Release date:2007-11-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inter- and intramolecular electron transfer in modified azurin dimers
Eur.J.Inorg.Chem., 2007, 2007
2IDF
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BU of 2idf by Molmil
P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer
Descriptor: 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ...
Authors:Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W.
Deposit date:2006-09-15
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface
To be Published
3DP5
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BU of 3dp5 by Molmil
Crystal structure of Geobacter sulfurreducens OmcF with N-terminal Strep-tag II
Descriptor: Cytochrome c family protein, HEME C, SULFATE ION
Authors:Lukat, P, Hoffmann, M, Einsle, O.
Deposit date:2008-07-07
Release date:2008-09-02
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal packing of the c(6)-type cytochrome OmcF from Geobacter sulfurreducens is mediated by an N-terminal Strep-tag II
ACTA CRYSTALLOGR.,SECT.D, 64, 2008
4B2N
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BU of 4b2n by Molmil
Latex Oxygenase RoxA
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 70 KDA PROTEIN, HEME C, ...
Authors:Seidel, J, Schmitt, G, Hoffmann, M, Jendrossek, D, Einsle, O.
Deposit date:2012-07-17
Release date:2013-07-24
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the processive rubber oxygenase RoxA from Xanthomonas sp.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
4JV6
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BU of 4jv6 by Molmil
The crystal structure of PDE6D in complex to inhibitor-1
Descriptor: 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
4JV8
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BU of 4jv8 by Molmil
The crystal structure of PDE6D in complex with rac-S1
Descriptor: (6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
4JVB
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BU of 4jvb by Molmil
Crystal structure of PDE6D in complex with the inhibitor rac-2
Descriptor: 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
4JVF
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BU of 4jvf by Molmil
The Crystal structure of PDE6D in complex with the inhibitor (s)-5
Descriptor: (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
6ETO
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BU of 6eto by Molmil
Atomic resolution structure of RNase A (data collection 5)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018
6ET1
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BU of 6et1 by Molmil
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2)
Descriptor: PqsB, PqsC
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET2
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BU of 6et2 by Molmil
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 3)
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, PqsB, PqsC
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET0
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BU of 6et0 by Molmil
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 1)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ESZ
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BU of 6esz by Molmil
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, PqsB, ...
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET3
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BU of 6et3 by Molmil
Crystal structure of PqsBC (C129S) mutant from Pseudomonas aeruginosa (crystal form 4)
Descriptor: (R,R)-2,3-BUTANEDIOL, PqsB, PqsC, ...
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
5CNG
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BU of 5cng by Molmil
ultrafast dynamics in myoglobin: 150 ps time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
3FC2
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BU of 3fc2 by Molmil
PLK1 in complex with BI6727
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bader, G.
Deposit date:2008-11-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity.
Clin.Cancer Res., 15, 2009
8BEC
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BU of 8bec by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1375 scFV
Descriptor: SULFATE ION, Spike protein S1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hansen, G, Ssebyatika, G.L, Krey, T.
Deposit date:2022-10-21
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG4
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BU of 8bg4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1611 scFV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1611 single-chain Fv
Authors:Hansen, G, Ssebyatika, G.L, Krey, T.
Deposit date:2022-10-27
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG8
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BU of 8bg8 by Molmil
SARS-CoV-2 S protein in complex with pT1696 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1696 Fab heavy chain, ...
Authors:Hansen, G, Benecke, T, Vollmer, B, Gruenewald, K, Krey, T.
Deposit date:2022-10-27
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG1
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BU of 8bg1 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1511 scFV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hansen, G, Ssebyatika, G.L, Krey, T.
Deposit date:2022-10-27
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published

 

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