5CTV
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![BU of 5ctv by Molmil](/molmil-images/mine/5ctv) | Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Autolysin, fragment of peptidoglycan | Authors: | Achour, A, Sandalova, T, Mellroth, P. | Deposit date: | 2015-07-24 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The crystal structure of the major pneumococcal autolysin LytA in complex with a large peptidoglycan fragment reveals the pivotal role of glycans for lytic activity. Mol.Microbiol., 101, 2016
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6JN8
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![BU of 6jn8 by Molmil](/molmil-images/mine/6jn8) | Structure of H216A mutant open form peptidoglycan peptidase | Descriptor: | Peptidase M23, SULFATE ION, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JMZ
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![BU of 6jmz by Molmil](/molmil-images/mine/6jmz) | Structure of H247A mutant open form peptidoglycan peptidase | Descriptor: | Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JMX
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![BU of 6jmx by Molmil](/molmil-images/mine/6jmx) | Structure of open form of peptidoglycan peptidase | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, Peptidase M23, ... | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JN1
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![BU of 6jn1 by Molmil](/molmil-images/mine/6jn1) | Structure of H247A mutant peptidoglycan peptidase complex with penta peptide | Descriptor: | C0O-DAL-DAL, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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5OIZ
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![BU of 5oiz by Molmil](/molmil-images/mine/5oiz) | Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X | Authors: | Bernardo-Garcia, N, Hermoso, J.A. | Deposit date: | 2017-07-20 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
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6JN0
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![BU of 6jn0 by Molmil](/molmil-images/mine/6jn0) | Structure of H247A mutant peptidoglycan peptidase complex with tetra-tri peptide | Descriptor: | C0O-DAL-API, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.164 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JN7
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![BU of 6jn7 by Molmil](/molmil-images/mine/6jn7) | Structure of H216A mutant closed form peptidoglycan peptidase | Descriptor: | D(-)-TARTARIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JMY
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![BU of 6jmy by Molmil](/molmil-images/mine/6jmy) | Structure of wild type closed form of peptidoglycan peptidase | Descriptor: | CITRIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6I0N
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![BU of 6i0n by Molmil](/molmil-images/mine/6i0n) | |
5OJ1
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![BU of 5oj1 by Molmil](/molmil-images/mine/5oj1) | Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X, SODIUM ION | Authors: | Bernardo-Garcia, N, Hermoso, J.A. | Deposit date: | 2017-07-20 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
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5O8X
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![BU of 5o8x by Molmil](/molmil-images/mine/5o8x) | |
6I09
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![BU of 6i09 by Molmil](/molmil-images/mine/6i09) | |
6I0A
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![BU of 6i0a by Molmil](/molmil-images/mine/6i0a) | |
5OJ0
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![BU of 5oj0 by Molmil](/molmil-images/mine/5oj0) | |
6KV1
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![BU of 6kv1 by Molmil](/molmil-images/mine/6kv1) | Structure of wild type closed form of peptidoglycan peptidase ZN SAD | Descriptor: | CITRIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-09-03 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.722 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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5OM9
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![BU of 5om9 by Molmil](/molmil-images/mine/5om9) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | Deposit date: | 2017-07-28 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library. ACS Med Chem Lett, 8, 2017
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6I05
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![BU of 6i05 by Molmil](/molmil-images/mine/6i05) | |
4CPK
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![BU of 4cpk by Molmil](/molmil-images/mine/4cpk) | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | Descriptor: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2014-02-07 | Release date: | 2014-09-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
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4CHX
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![BU of 4chx by Molmil](/molmil-images/mine/4chx) | Crystal structure of MltC in complex with disaccharide pentapeptide DHl89 | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase C, ... | Authors: | Artola-Recolons, C, Bernardo-Garcia, N, Hermoso, J.A. | Deposit date: | 2013-12-04 | Release date: | 2014-07-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli. Acs Chem.Biol., 9, 2014
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4JF4
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![BU of 4jf4 by Molmil](/molmil-images/mine/4jf4) | OXA-23 meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B, Toth, M. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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4JF6
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![BU of 4jf6 by Molmil](/molmil-images/mine/4jf6) | Structure of OXA-23 at pH 7.0 | Descriptor: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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4JF5
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![BU of 4jf5 by Molmil](/molmil-images/mine/4jf5) | Structure of OXA-23 at pH 4.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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4GNU
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![BU of 4gnu by Molmil](/molmil-images/mine/4gnu) | Crystal structure of GES-5 carbapenemase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2012-08-17 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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4H8R
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![BU of 4h8r by Molmil](/molmil-images/mine/4h8r) | Imipenem complex of GES-5 carbapenemase | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2012-09-23 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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