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4V1U
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BU of 4v1u by Molmil
Heterocyclase in complex with substrate and Cofactor
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, LYND, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.86 Å)
Cite: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
Descriptor: LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (3.01 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LYND, MAGNESIUM ION, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing
Nat.Chem.Biol., 11, 2015
6YGQ
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BU of 6ygq by Molmil
EclA N-terminal domain; PllA-like lectin
Descriptor: CALCIUM ION, PA-I Galactophilic Lectin
Authors:Koehnke, J, Sikandar, A.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:EclA N-terminal domain; PllA-like lectin
To Be Published
6YF6
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BU of 6yf6 by Molmil
EclA C-terminal domain; sugar-binding protein
Descriptor: CALCIUM ION, Galactose-binding lectin, PHOSPHATE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2020-03-26
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:EclA C-terminal domain; sugar-binding protein
To Be Published
3BOD
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BU of 3bod by Molmil
Structure of mouse beta-neurexin 1
Descriptor: CALCIUM ION, Neurexin-1-alpha
Authors:Koehnke, J, Jin, X, Shapiro, L.
Deposit date:2007-12-17
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of beta-Neurexin 1 and beta-Neurexin 2 Ectodomains and Dynamics of Splice Insertion Sequence 4.
Structure, 16, 2008
3BOP
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BU of 3bop by Molmil
Structure of mouse beta-neurexin 2D4
Descriptor: beta-Neurexin 2D4
Authors:Koehnke, J, Jin, X, Shapiro, L.
Deposit date:2007-12-17
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of beta-Neurexin 1 and beta-Neurexin 2 Ectodomains and Dynamics of Splice Insertion Sequence 4.
Structure, 16, 2008
7NLM
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BU of 7nlm by Molmil
LasB, N-aryl-2-butylmercaptoacetamide
Descriptor: (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide, CALCIUM ION, Pro-elastase, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2021-02-22
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex
to be published
7NLK
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BU of 7nlk by Molmil
LasB, N-aryl-2-butylmercaptoacetamide
Descriptor: (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide, CALCIUM ION, Pro-elastase, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2021-02-22
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex
to be published
4AKS
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BU of 4aks by Molmil
PatG macrocyclase domain
Descriptor: THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4AKT
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BU of 4akt by Molmil
PatG macrocyclase in complex with peptide
Descriptor: SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4BS9
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BU of 4bs9 by Molmil
Structure of the heterocyclase TruD
Descriptor: TRUD, ZINC ION
Authors:Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H.
Deposit date:2013-06-09
Release date:2013-11-06
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
4V2P
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BU of 4v2p by Molmil
Ketosynthase MxnB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, KETOSYNTHASE, ...
Authors:Koehnke, J.
Deposit date:2014-10-13
Release date:2015-08-26
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:In vitro reconstitution of alpha-pyrone ring formation in myxopyronin biosynthesis.
Chem Sci, 6, 2015
5LHK
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BU of 5lhk by Molmil
Bottromycin maturation enzyme BotP in complex with Mn
Descriptor: BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ...
Authors:Koehnke, J, Adam, S.
Deposit date:2016-07-12
Release date:2016-10-05
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ...
Authors:Koehnke, J, Mann, G.
Deposit date:2016-07-12
Release date:2016-10-12
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
3BL8
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BU of 3bl8 by Molmil
Crystal structure of the extracellular domain of neuroligin 2A from mouse
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jin, X, Koehnke, J, Shapiro, L.
Deposit date:2007-12-10
Release date:2008-02-19
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular cholinesterase-like domain from neuroligin-2.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5OFZ
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BU of 5ofz by Molmil
PllA lectin, apo
Descriptor: Uncharacterized protein
Authors:Koehnke, J, Sikandar, A.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
J. Biol. Chem., 292, 2017
5OFX
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BU of 5ofx by Molmil
Plla lectin, trisaccharide complex
Descriptor: CALCIUM ION, PllA, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
Authors:Koehnke, J, Sikandar, A.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
J. Biol. Chem., 292, 2017
6T6X
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BU of 6t6x by Molmil
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
6T6H
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BU of 6t6h by Molmil
Apo structure of the Bottromycin epimerase BotH
Descriptor: BotH, SODIUM ION, SULFATE ION
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-18
Release date:2020-07-15
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (1.18 Å)
Cite: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
Descriptor: BotH, Bottromycin A2 derivative
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: BotH, Bottromycin A2
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-11-18
Release date:2020-03-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6ZYL
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BU of 6zyl by Molmil
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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