4V1U
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4V1T
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4V1V
| 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing. Nat.Chem.Biol., 11, 2015
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3BOD
| 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
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3BOP
| 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
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7NLM
| 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
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7NLK
| 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
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6YF6
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6YGQ
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4AKT
| 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
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4AKS
| 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
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4B0Z
| Crystal structure of S. pombe Rpn12 | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN12, GLYCEROL, MONOTHIOGLYCEROL, ... | Authors: | Boehringer, J, Riedinger, C, Paraskevopoulos, K, Johnson, E.O.D, Lowe, E.D, Khoudian, C, Smith, D, Noble, M.E.M, Gordon, C, Endicott, J.A. | Deposit date: | 2012-07-06 | Release date: | 2012-09-12 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural and Functional Characterisation of Rpn12 Identifies Residues Required for Rpn10 Proteasome Incorporation. Biochem.J., 448, 2012
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4BS9
| 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: | 2024-05-08 | 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
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4V2P
| 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
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6I5S
| AH, Bottromycin amidohydrolase | Descriptor: | CHLORIDE ION, GLYCEROL, ZINC ION, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-11-14 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis. J.Am.Chem.Soc., 141, 2019
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5OFZ
| 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
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5OFX
| 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
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3BL8
| 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
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6T6H
| 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: | 2024-05-15 | 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
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6T6Z
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6T6Y
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5O28
| E. coli FolD apo | Descriptor: | Bifunctional protein FolD | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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5O2A
| FolD Q98H | Descriptor: | Bifunctional protein FolD | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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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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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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