6T70
 
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6T6X
 | | Structure of the Bottromycin epimerase BotH in complex with substrate | | Descriptor: | (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2019-10-20 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
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5O22
 | | E. coli FolD in complex with carolacton | | Descriptor: | Bifunctional protein FolD, Carolacton | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2017-05-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
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5OFI
 | | PllA lectin, Fluorophore carbohydrate complex | | Descriptor: | 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid, CALCIUM ION, PIIA | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2017-07-11 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
J. Biol. Chem., 292, 2017
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5ODU
 | | PllA lectin, monosaccharide complex | | Descriptor: | CALCIUM ION, PllA, methyl alpha-D-galactopyranoside | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2017-07-06 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
J. Biol. Chem., 292, 2017
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6ZYL
 | | non-heme monooxygenase; ThoJ apo | | Descriptor: | L(+)-TARTARIC ACID, Uncharacterized protein | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation.
Acs Chem.Biol., 15, 2020
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6ZYK
 | | Non-heme monooxygenase, ThoJ-Ni complex | | Descriptor: | L(+)-TARTARIC ACID, Monooxygenase, NICKEL (II) ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation.
Acs Chem.Biol., 15, 2020
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6ZSV
 | | Structure of crocagin biosynthetic protein CgnB | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Koehnke, J, Adam, S. | | Deposit date: | 2020-07-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
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3ZXY
 | | Structure of S218A mutant of the protease domain of PatA | | Descriptor: | SUBTILISIN-LIKE PROTEIN | | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
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3ZXX
 | | Structure of self-cleaved protease domain of PatA | | Descriptor: | SUBTILISIN-LIKE PROTEIN | | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
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6H97
 | | AlbAT99V mutant , albicidin resistance protein | | Descriptor: | Albicidin resistance protein | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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6H96
 | | AlbA-albicidin complex, albicidin resistance protein | | Descriptor: | 4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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6H95
 | | AlbA, albicidin resistance protein | | Descriptor: | Albicidin resistance protein | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-21 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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6HAI
 | | AlbAM131A mutant in complex with albicidin , albicidin resistance protein | | Descriptor: | 4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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3E3U
 | | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | | Deposit date: | 2008-08-08 | | Release date: | 2009-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
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1EUB
 | | SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR | | Descriptor: | 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... | | Authors: | Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y. | | Deposit date: | 2000-04-14 | | Release date: | 2001-04-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
J.Mol.Biol., 301, 2000
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8CR7
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8CR3
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8CR4
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4UVQ
 | | PatG Domain of Unknown Function | | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE, ZINC ION | | Authors: | Mann, G, Koehnke, J, Bent, A.F, Graham, R, Schwarz-Linek, U, Naismith, J.H. | | Deposit date: | 2014-08-07 | | Release date: | 2014-09-17 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | The Structure of the Cyanobactin Domain of Unknown Function from Patg in the Patellamide Gene Cluster
Acta Crystallogr.,Sect.F, 70, 2014
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7PD7
 | | Crocagin methyl transferase CgnL | | Descriptor: | GLYCEROL, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Zheng, D, Koehnke, J. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
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8OII
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8AHD
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8AGY
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8A2N
 | | Structure of crocagin biosynthetic protein CgnD | | Descriptor: | CgnD, SULFATE ION | | Authors: | Adam, S, Koehnke, J. | | Deposit date: | 2022-06-06 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
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