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PDB: 64 件

4V2P
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BU of 4v2p by Molmil
Ketosynthase MxnB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, KETOSYNTHASE, ...
著者Koehnke, J.
登録日2014-10-13
公開日2015-08-26
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献In vitro reconstitution of alpha-pyrone ring formation in myxopyronin biosynthesis.
Chem Sci, 6, 2015
6I5S
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BU of 6i5s by Molmil
AH, Bottromycin amidohydrolase
分子名称: CHLORIDE ION, GLYCEROL, ZINC ION, ...
著者Koehnke, J, Sikandar, A.
登録日2018-11-14
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
7OC7
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BU of 7oc7 by Molmil
LasB, alpha-alkyl-N-aryl mercaptoacetamide
分子名称: (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ...
著者Koehnke, J, Sikandar, A.
登録日2021-04-26
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Angew.Chem.Int.Ed.Engl., 61, 2022
5LHK
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BU of 5lhk by Molmil
Bottromycin maturation enzyme BotP in complex with Mn
分子名称: BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ...
著者Koehnke, J, Adam, S.
登録日2016-07-12
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
5LHJ
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BU of 5lhj by Molmil
Bottromycin maturation enzyme BotP
分子名称: CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ...
著者Koehnke, J, Mann, G.
登録日2016-07-12
公開日2016-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
4V1U
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BU of 4v1u by Molmil
Heterocyclase in complex with substrate and Cofactor
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, LYND, ...
著者Koehnke, J, Naismith, J.H.
登録日2014-10-02
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
4V1T
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BU of 4v1t by Molmil
Heterocyclase in complex with substrate and Cofactor
分子名称: ADENOSINE-5'-DIPHOSPHATE, LYND, MAGNESIUM ION, ...
著者Koehnke, J, Naismith, J.H.
登録日2014-10-02
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing
Nat.Chem.Biol., 11, 2015
4V1V
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BU of 4v1v by Molmil
Heterocyclase in complex with substrate and Cofactor
分子名称: LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Koehnke, J, Naismith, J.H.
登録日2014-10-02
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
6F8B
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BU of 6f8b by Molmil
LasB bound to thiol based inhibitor
分子名称: CALCIUM ION, Elastase, ZINC ION, ...
著者Koehnke, J, Sikandar, A.
登録日2017-12-12
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding Mode Characterization and Early in Vivo Evaluation of Fragment-Like Thiols as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa.
ACS Infect Dis, 4, 2018
8OO2
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BU of 8oo2 by Molmil
ChdA complex with amido-chelocardin
分子名称: 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator
著者Koehnke, J, Sikandar, A.
登録日2023-04-04
公開日2023-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
7NLK
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BU of 7nlk by Molmil
LasB, N-aryl-2-butylmercaptoacetamide
分子名称: (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide, CALCIUM ION, Pro-elastase, ...
著者Koehnke, J, Sikandar, A.
登録日2021-02-22
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex
to be published
6T6H
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BU of 6t6h by Molmil
Apo structure of the Bottromycin epimerase BotH
分子名称: BotH, SODIUM ION, SULFATE ION
著者Koehnke, J, Sikandar, A.
登録日2019-10-18
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Z
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BU of 6t6z by Molmil
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
分子名称: BotH, Bottromycin A2 derivative
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Y
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BU of 6t6y by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
分子名称: BotH, Bottromycin A2
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
分子名称: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
分子名称: (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
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6TH7
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BU of 6th7 by Molmil
Structure of porcine pancreatic elastase in complex with tutuilamide
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
著者Koehnke, J, Sikandar, A.
登録日2019-11-18
公開日2020-03-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
6FZX
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BU of 6fzx by Molmil
LasB, hydroxymate Inhibitor Complex
分子名称: CALCIUM ION, GLYCEROL, Keratinase KP2, ...
著者Koehnke, J, Sikandar, A.
登録日2018-03-15
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tackling Pseudomonas aeruginosa Virulence by a Hydroxamic Acid-Based LasB Inhibitor.
ACS Chem. Biol., 13, 2018
5O2A
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BU of 5o2a by Molmil
FolD Q98H
分子名称: Bifunctional protein FolD
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
6YGQ
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BU of 6ygq by Molmil
EclA N-terminal domain; PllA-like lectin
分子名称: CALCIUM ION, PA-I Galactophilic Lectin
著者Koehnke, J, Sikandar, A.
登録日2020-03-27
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献EclA N-terminal domain; PllA-like lectin
To Be Published
5O22
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BU of 5o22 by Molmil
E. coli FolD in complex with carolacton
分子名称: Bifunctional protein FolD, Carolacton
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
6H96
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BU of 6h96 by Molmil
AlbA-albicidin complex, albicidin resistance protein
分子名称: 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
著者Koehnke, J, Sikandar, A.
登録日2018-08-03
公開日2018-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
6H95
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BU of 6h95 by Molmil
AlbA, albicidin resistance protein
分子名称: Albicidin resistance protein
著者Koehnke, J, Sikandar, A.
登録日2018-08-03
公開日2018-11-21
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
6HAI
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BU of 6hai by Molmil
AlbAM131A mutant in complex with albicidin , albicidin resistance protein
分子名称: 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
著者Koehnke, J, Sikandar, A.
登録日2018-08-07
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
5O28
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BU of 5o28 by Molmil
E. coli FolD apo
分子名称: Bifunctional protein FolD
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017

 

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