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5JQF
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BU of 5jqf by Molmil
Crystal structure of the lasso peptide Sphingopyxin I (SpI)
Descriptor: Sphingopyxin I
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
2YAK
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BU of 2yak by Molmil
Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV)
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
Authors:Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E.
Deposit date:2011-02-23
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
4AS0
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BU of 4as0 by Molmil
Cyclometalated Phthalimides as Protein Kinase Inhibitors
Descriptor: PHTALIMIDE-RUTHENIUM COMPLEX, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Blanck, S, Geisselbrecht, Y, Middel, S, Mietke, T, Harms, K, Essen, L.-O, Meggers, E.
Deposit date:2012-04-27
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition.
Dalton Trans, 41, 2012
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Descriptor: CHLORIDE ION, Caulosegnin II
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
4NAG
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BU of 4nag by Molmil
Xanthomonins I III are a New Class of Lasso Peptides Featuringa Seven-Membered Macrolactam Ring
Descriptor: HEXANE-1,6-DIOL, Xanthomonin I
Authors:Hegemann, J.D, Zimmermann, M, Zhu, S, Steuber, H, Harms, K, Xie, X, Marahiel, M.A.
Deposit date:2013-10-22
Release date:2014-04-30
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring.
Angew.Chem.Int.Ed.Engl., 53, 2014
3PUP
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BU of 3pup by Molmil
Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1)
Descriptor: Glycogen synthase kinase-3 beta, Ruthenium octasporine
Authors:Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S.
Deposit date:2010-12-06
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
7ASS
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BU of 7ass by Molmil
OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives Cryptic Evolution of OXA-48
Descriptor: Beta-lactamase, CHLORIDE ION, hydrolyzed ceftazidime
Authors:Frohlich, C, Leiros, H.-K.S.
Deposit date:2020-10-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations.
Msphere, 6, 2021
2MFV
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BU of 2mfv by Molmil
Structure of lasso peptide xanthomonin ii
Descriptor: Xanthomonin II
Authors:Hegemann, J.D, Zimmermann, M, Harms, K, Xie, X, Marahiel, M.A.
Deposit date:2013-10-23
Release date:2014-10-29
Method:SOLUTION NMR
Cite:Xanthomonin I-III are Lasso Peptides Featuring Macrolactam Rings Consisting of Only Seven Amino Acids
To be Published
6GEM
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BU of 6gem by Molmil
FeII-Dependent Halogenase Wi-WelO15
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Oxidoreductase
Authors:Srinivasan, V.
Deposit date:2018-04-26
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.462 Å)
Cite:Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)-H Chlorination
ChemRxiv, 2019
5JRK
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BU of 5jrk by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (SeMet-derived)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein, beta-D-glucopyranose
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JRL
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BU of 5jrl by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (Native)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
3FY0
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BU of 3fy0 by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex DW1
Descriptor: Ruthenium pyridocarbazole, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Meggers, E.
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3FXZ
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BU of 3fxz by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
Descriptor: OCTAHEDRAL RU-PYRIDOCARBAZOLE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Meggers, E.
Deposit date:2009-01-21
Release date:2009-02-17
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
4DAW
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BU of 4daw by Molmil
Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex
Descriptor: Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2012-01-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012

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