3G9E
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![BU of 3g9e by Molmil](/molmil-images/mine/3g9e) | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | Deposit date: | 2009-02-13 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg.Med.Chem.Lett., 19, 2009
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7ZH5
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![BU of 7zh5 by Molmil](/molmil-images/mine/7zh5) | SARS CoV Spike protein, Open conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | Deposit date: | 2022-04-05 | Release date: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron. Sci Adv, 8, 2022
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8DM7
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![BU of 8dm7 by Molmil](/molmil-images/mine/8dm7) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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7ZH1
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![BU of 7zh1 by Molmil](/molmil-images/mine/7zh1) | SARS CoV Spike protein, Closed C3 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | Deposit date: | 2022-04-05 | Release date: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron. Sci Adv, 8, 2022
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8DM8
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![BU of 8dm8 by Molmil](/molmil-images/mine/8dm8) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM9
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![BU of 8dm9 by Molmil](/molmil-images/mine/8dm9) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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3GGG
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![BU of 3ggg by Molmil](/molmil-images/mine/3ggg) | |
2VTT
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![BU of 2vtt by Molmil](/molmil-images/mine/2vtt) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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6XLC
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![BU of 6xlc by Molmil](/molmil-images/mine/6xlc) | Full-length Hsc82 bound to AMPPNP | Descriptor: | ATP-dependent molecular chaperone HSC82, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Full-length Hsc82 bound to AMPPNP To Be Published
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2VTL
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![BU of 2vtl by Molmil](/molmil-images/mine/2vtl) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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7NDV
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![BU of 7ndv by Molmil](/molmil-images/mine/7ndv) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor RSC Advances, 11, 2021
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7NDP
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![BU of 7ndp by Molmil](/molmil-images/mine/7ndp) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor. Rsc Adv, 11, 2021
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8UMC
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![BU of 8umc by Molmil](/molmil-images/mine/8umc) | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), cryo-EM | Descriptor: | DUF6379 domain-containing protein, MANGANESE (II) ION, Xylose isomerase-like TIM barrel domain-containing protein | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | Deposit date: | 2023-10-17 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
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6WP3
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![BU of 6wp3 by Molmil](/molmil-images/mine/6wp3) | Pyruvate Kinase M2 Mutant-K433Q | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | Deposit date: | 2020-04-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation. J.Biol.Chem., 295, 2020
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6WP5
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![BU of 6wp5 by Molmil](/molmil-images/mine/6wp5) | Pyruvate Kinase M2 mutant-S37D | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | Deposit date: | 2020-04-26 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation. J.Biol.Chem., 295, 2020
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6WPW
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![BU of 6wpw by Molmil](/molmil-images/mine/6wpw) | GCGR-Gs signaling complex bound to a designed glucagon derivative | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | Deposit date: | 2020-04-28 | Release date: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into differences in G protein activation by family A and family B GPCRs. Science, 369, 2020
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3I3G
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![BU of 3i3g by Molmil](/molmil-images/mine/3i3g) | Crystal Structure of Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A | Descriptor: | N-acetyltransferase | Authors: | Qiu, W, Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, J Ferguson, M.A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A To be Published
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2VTH
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![BU of 2vth by Molmil](/molmil-images/mine/2vth) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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6WQK
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![BU of 6wqk by Molmil](/molmil-images/mine/6wqk) | hnRNPA2 Low complexity domain (LCD) determined by cryoEM | Descriptor: | MCherry fluorescent protein,Heterogeneous nuclear ribonucleoproteins A2/B1 chimera | Authors: | Lu, J, Cao, Q, Hughes, M.P, Sawaya, M.R, Boyer, D.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2020-04-29 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid. Nat Commun, 11, 2020
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2VTP
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![BU of 2vtp by Molmil](/molmil-images/mine/2vtp) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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3K8D
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![BU of 3k8d by Molmil](/molmil-images/mine/3k8d) | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D. | Deposit date: | 2009-10-14 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases J.Biol.Chem., 284, 2009
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6XKW
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![BU of 6xkw by Molmil](/molmil-images/mine/6xkw) | R. capsulatus CIII2CIV bipartite super-complex (SC-2A) with CcoH/cy | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP, Cytochrome b, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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6XLV
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![BU of 6xlv by Molmil](/molmil-images/mine/6xlv) | |
3HUO
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![BU of 3huo by Molmil](/molmil-images/mine/3huo) | X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G | Authors: | Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R. | Deposit date: | 2009-06-15 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M. To be Published
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7Y38
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![BU of 7y38 by Molmil](/molmil-images/mine/7y38) | |