8EK9
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![BU of 8ek9 by Molmil](/molmil-images/mine/8ek9) | Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S. | Deposit date: | 2022-09-20 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
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8EHU
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![BU of 8ehu by Molmil](/molmil-images/mine/8ehu) | Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution | Descriptor: | Beta-lactamase | Authors: | Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S. | Deposit date: | 2022-09-14 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
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8EO7
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![BU of 8eo7 by Molmil](/molmil-images/mine/8eo7) | Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution | Descriptor: | beta-lactamase | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | Deposit date: | 2022-10-02 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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8EO6
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![BU of 8eo6 by Molmil](/molmil-images/mine/8eo6) | Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution | Descriptor: | ACYLATED CEFTAZIDIME, LRA-5 | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | Deposit date: | 2022-10-02 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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8EHH
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![BU of 8ehh by Molmil](/molmil-images/mine/8ehh) | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S. | Deposit date: | 2022-09-14 | Release date: | 2023-09-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96. To be published
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4GQN
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![BU of 4gqn by Molmil](/molmil-images/mine/4gqn) | Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, Riboflavin synthase subunit alpha | Authors: | Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S. | Deposit date: | 2012-08-23 | Release date: | 2014-03-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility. Acta Crystallogr.,Sect.D, 70, 2014
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8EO5
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![BU of 8eo5 by Molmil](/molmil-images/mine/8eo5) | Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5 | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | Deposit date: | 2022-10-02 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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6UCT
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![BU of 6uct by Molmil](/molmil-images/mine/6uct) | Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant) | Descriptor: | p9-1 | Authors: | Llauger, G, Klinke, S, Monti, D, Sycz, G, Cerutti, M.L, Goldbaum, F.A, del Vas, M, Otero, L.H. | Deposit date: | 2019-09-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant) To Be Published
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6VAW
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![BU of 6vaw by Molmil](/molmil-images/mine/6vaw) | Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-18 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6VC4
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![BU of 6vc4 by Molmil](/molmil-images/mine/6vc4) | Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD) | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name), CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-20 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6VAV
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![BU of 6vav by Molmil](/molmil-images/mine/6vav) | Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-succinamoyl derivative (diNGS) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-18 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6VC3
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![BU of 6vc3 by Molmil](/molmil-images/mine/6vc3) | Peanut lectin complexed with S-beta-D-thiogalactopyranosyl 6-deoxy-6-S-propynyl-beta-D-glucopyranoside (STG) | Descriptor: | 6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-20 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6V95
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![BU of 6v95 by Molmil](/molmil-images/mine/6v95) | Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-tartaramidoyl derivative (diNGT) | Descriptor: | (2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name), CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-13 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6VGF
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![BU of 6vgf by Molmil](/molmil-images/mine/6vgf) | Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD) | Descriptor: | (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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6CAC
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![BU of 6cac by Molmil](/molmil-images/mine/6cac) | Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | Descriptor: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | Authors: | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | Deposit date: | 2018-01-30 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop. Antimicrob. Agents Chemother., 63, 2019
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3N4W
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![BU of 3n4w by Molmil](/molmil-images/mine/3n4w) | Crystal structure of an abridged SER to ALA mutant of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at pH 7.5 | Descriptor: | CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N | Authors: | Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R. | Deposit date: | 2010-05-23 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2. J.Biol.Chem., 283, 2008
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3NG8
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![BU of 3ng8 by Molmil](/molmil-images/mine/3ng8) | Crystal structure of an abridged SER TO ALA MUTANT OF THE MATURE ECTODOMAIN of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at PH 8.5 | Descriptor: | CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N | Authors: | Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R. | Deposit date: | 2010-06-11 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2. J.Biol.Chem., 283, 2008
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7R63
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![BU of 7r63 by Molmil](/molmil-images/mine/7r63) | |
2MPB
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![BU of 2mpb by Molmil](/molmil-images/mine/2mpb) | NMR structure of BA42 protein from the psychrophilic bacteria Bizionia argentinensis sp. nov | Descriptor: | BA42 | Authors: | Cicero, D, Aran, M, Smal, C, Pellizza, L, Gallo, M. | Deposit date: | 2014-05-14 | Release date: | 2014-08-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain. Proteins, 82, 2014
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4D4Z
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![BU of 4d4z by Molmil](/molmil-images/mine/4d4z) | STRUCTURE OF HUMAN DEOXYHYPUSINE HYDROXYLASE in complex with glycerol | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
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4D50
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![BU of 4d50 by Molmil](/molmil-images/mine/4d50) | Structure of human deoxyhypusine hydroxylase | Descriptor: | DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, GUANIDINE, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
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8STL
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![BU of 8stl by Molmil](/molmil-images/mine/8stl) | Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha | Descriptor: | Nanobody PIK3_Nb16, SULFATE ION | Authors: | Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S. | Deposit date: | 2023-05-10 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of isoform specific nanobodies for Class I PI3Ks To be published
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3NP5
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![BU of 3np5 by Molmil](/molmil-images/mine/3np5) | |
3N01
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![BU of 3n01 by Molmil](/molmil-images/mine/3n01) | |