8E1T
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![BU of 8e1t by Molmil](/molmil-images/mine/8e1t) | Asp1 kinase in complex with ADPNP Mg IP7 | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ... | Authors: | Goldgur, Y, Shuman, S, Benjamin, B. | Deposit date: | 2022-08-11 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States. Mbio, 13, 2022
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8E1J
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![BU of 8e1j by Molmil](/molmil-images/mine/8e1j) | Asp1 kinase in complex with 1,5-IP8 | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase | Authors: | Goldgur, Y, Shuman, S, Benjamin, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States. Mbio, 13, 2022
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8E1V
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![BU of 8e1v by Molmil](/molmil-images/mine/8e1v) | Asp1 kinase in complex with ADPNP Mg IP6 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ... | Authors: | Goldgur, Y, Shuman, S, Benjamin, B. | Deposit date: | 2022-08-11 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States. Mbio, 13, 2022
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4D4M
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![BU of 4d4m by Molmil](/molmil-images/mine/4d4m) | human PFKFB3 in complex with a pyrrolopyrimidone compound | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ... | Authors: | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | Deposit date: | 2014-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods To be Published
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4D4J
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![BU of 4d4j by Molmil](/molmil-images/mine/4d4j) | human PFKFB3 in complex with a pyrrolopyrimidone compound | Descriptor: | 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | Deposit date: | 2014-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods To be Published
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3ZT7
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![BU of 3zt7 by Molmil](/molmil-images/mine/3zt7) | GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-07-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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3ZT5
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![BU of 3zt5 by Molmil](/molmil-images/mine/3zt5) | GlgE isoform 1 from Streptomyces coelicolor with maltose bound | Descriptor: | PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-07-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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3ZT6
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![BU of 3zt6 by Molmil](/molmil-images/mine/3zt6) | GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin and maltose bound | Descriptor: | Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-07-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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5EPH
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![BU of 5eph by Molmil](/molmil-images/mine/5eph) | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-11 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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411D
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![BU of 411d by Molmil](/molmil-images/mine/411d) | DUPLEX [5'-D(GCGTA+TACGC)]2 WITH INCORPORATED 2'-O-METHOXYETHYL RIBONUCLEOSIDE | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(T39)P*AP*CP*GP*C)-3') | Authors: | Tereshko, V, Portmann, S, Tay, E.C, Martin, P, Natt, F, Altmann, K.H, Egli, M. | Deposit date: | 1998-06-30 | Release date: | 1998-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Correlating structure and stability of DNA duplexes with incorporated 2'-O-modified RNA analogues. Biochemistry, 37, 1998
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4A0W
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![BU of 4a0w by Molmil](/molmil-images/mine/4a0w) | model built against symmetry-free cryo-EM map of TRiC-ADP-AlFx | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | Deposit date: | 2011-09-13 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (13.9 Å) | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle. Embo J., 31, 2012
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4AO9
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![BU of 4ao9 by Molmil](/molmil-images/mine/4ao9) | Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus | Descriptor: | BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | Authors: | Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2012-03-25 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical Properties and Crystal Structure of a Novel Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus Appl.Environ.Microbiol., 79, 2013
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4A13
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![BU of 4a13 by Molmil](/molmil-images/mine/4a13) | model refined against symmetry-free cryo-EM map of TRiC-ADP | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | Deposit date: | 2011-09-13 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (11.3 Å) | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle. Embo J., 31, 2012
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5M7Q
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![BU of 5m7q by Molmil](/molmil-images/mine/5m7q) | |
4AOE
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![BU of 4aoe by Molmil](/molmil-images/mine/4aoe) | Biomphalaria glabrata Acetylcholine-binding protein type 2 (BgAChBP2) | Descriptor: | ACETYLCHOLINE-BINDING PROTEIN TYPE 2 | Authors: | Saur, M, Moeller, V, Kapetanopoulos, K, Braukmann, S, Gebauer, W, Tenzer, S, Markl, J. | Deposit date: | 2012-03-26 | Release date: | 2012-08-29 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Acetylcholine-Binding Protein in the Hemolymph of the Planorbid Snail Biomphalaria Glabrata is a Pentagonal Dodecahedron (60 Subunits) Plos One, 7, 2012
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8TG5
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![BU of 8tg5 by Molmil](/molmil-images/mine/8tg5) | tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with branched 2'-PO4 RNA | Descriptor: | (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name), CHLORIDE ION, POTASSIUM ION, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2023-07-12 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD. Proc.Natl.Acad.Sci.USA, 120, 2023
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5NJW
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![BU of 5njw by Molmil](/molmil-images/mine/5njw) | Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ... | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-29 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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4B7P
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![BU of 4b7p by Molmil](/molmil-images/mine/4b7p) | Structure of HSP90 with NMS-E973 inhibitor bound | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A. | Deposit date: | 2012-08-21 | Release date: | 2013-05-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases. Clin.Cancer Res., 19, 2013
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6B46
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![BU of 6b46 by Molmil](/molmil-images/mine/6b46) | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1 | Descriptor: | Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ... | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | Deposit date: | 2017-09-25 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. Cell, 171, 2017
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3ZST
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![BU of 3zst by Molmil](/molmil-images/mine/3zst) | GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin bound | Descriptor: | 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1 | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-06-30 | Release date: | 2011-09-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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3ZSF
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![BU of 3zsf by Molmil](/molmil-images/mine/3zsf) | Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the unliganded open conformation | Descriptor: | ABC TRANSPORTER, PERIPLASMIC BINDING PROTEIN, AMINO ACID | Authors: | Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E. | Deposit date: | 2011-06-27 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae. J.Mol.Biol., 415, 2012
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3ZVH
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![BU of 3zvh by Molmil](/molmil-images/mine/3zvh) | Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J. | Deposit date: | 2011-07-25 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids. Nat.Chem., 4, 2012
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5EUA
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![BU of 5eua by Molmil](/molmil-images/mine/5eua) | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam | Descriptor: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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5NGG
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![BU of 5ngg by Molmil](/molmil-images/mine/5ngg) | Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion | Descriptor: | ACETATE ION, Blr6230 protein, ZINC ION | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-17 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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4A0V
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![BU of 4a0v by Molmil](/molmil-images/mine/4a0v) | model refined against the Symmetry-free cryo-EM map of TRiC-AMP-PNP | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | Deposit date: | 2011-09-13 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.7 Å) | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle. Embo J., 31, 2012
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