5ZFK
 
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5ZER
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5ZE7
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5ZES
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6HUH
 | | CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B. | | Deposit date: | 2018-10-08 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE
To be published
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6G9T
 | | CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE | | Descriptor: | Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Zavala, A, Retailleau, P, Naas, T, Iorga, B. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
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6I5D
 | | Crystal structure of an OXA-48 beta-lactamase synthetic mutant | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | | Deposit date: | 2018-11-13 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
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6HOO
 | | Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase | | Descriptor: | Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ... | | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | | Deposit date: | 2018-09-17 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement.
Acs Infect Dis., 6, 2020
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1JR8
 | | Crystal Structure of Erv2p | | Descriptor: | Erv2 PROTEIN, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Gross, E, Sevier, C.S, Vala, A, Kaiser, C.A, Fass, D. | | Deposit date: | 2001-08-13 | | Release date: | 2001-12-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A new FAD-binding fold and intersubunit disulfide shuttle in the thiol oxidase Erv2p.
Nat.Struct.Biol., 9, 2002
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1JRA
 | | Crystal Structure of Erv2p | | Descriptor: | ERV2 PROTEIN, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Gross, E, Sevier, C.S, Vala, A, Kaiser, C.A, Fass, D. | | Deposit date: | 2001-08-13 | | Release date: | 2001-12-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new FAD-binding fold and intersubunit disulfide shuttle in the thiol oxidase Erv2p.
Nat.Struct.Biol., 9, 2002
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6HB8
 | | Crystal structure of OXA-517 beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, Beta-lactamase, ... | | Authors: | Raczynska, J.E, Dabos, L, Zavala, A, Retailleau, P, Iorga, B, Jaskolski, M, Naas, T. | | Deposit date: | 2018-08-09 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Genetic, biochemical and structural characterization of OXA-517, an OXA-48-like extended-spectrum cephalosporins and carbapenems-hydrolyzing beta-lactamase
To Be Published
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7JOZ
 | | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist | | Descriptor: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, Endolysin,D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, B, Feng, D, Chu, M.L, Fish, I, Kelm, S, Lebon, F, Lovera, S, Valade, A, Wood, M, Ceska, T, Kobilka, T.S, Sands, Z, Kobilka, B.K. | | Deposit date: | 2020-08-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist.
Nat Commun, 12, 2021
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6WAA
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2020-03-24 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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5KEJ
 | | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with S-hexyl-glutathione | | Descriptor: | DI(HYDROXYETHYL)ETHER, S-HEXYLGLUTATHIONE, Tau class glutathione S-transferase | | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | | Deposit date: | 2016-06-09 | | Release date: | 2017-02-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Insights into ligand binding to a glutathione S-transferase from mango: Structure, thermodynamics and kinetics.
Biochimie, 135, 2017
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5G5E
 | | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L. | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE | | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | | Deposit date: | 2016-05-24 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
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5G5F
 | | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with reduced glutathione. | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTATHIONE, TAU CLASS GLUTATHIONE S-TRANSFERASE | | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | | Deposit date: | 2016-05-24 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
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7UP6
 | | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | | Descriptor: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | | Authors: | Yano, J.K, Abendroth, J, Hall, A. | | Deposit date: | 2022-04-14 | | Release date: | 2022-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP4
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | | Descriptor: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | | Authors: | Yano, J.K, Abendroth, J, Hall, A. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP8
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7UP5
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | | Descriptor: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | | Authors: | Yano, J.K, Edwards, T.E, Hall, A. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP7
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | | Authors: | Yano, J.K, Abendroth, J, Hall, A. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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8IGI
 | | Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori | | Descriptor: | 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION | | Authors: | Dinh, T.T, Dao, O, Lee, K.H. | | Deposit date: | 2023-02-20 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
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8P36
 | | Neisseria meningitidis Type IV pilus SB-DATDH variant | | Descriptor: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, Neisseria meningitidis PilE, SB-DATDH variant, ... | | Authors: | Fernandez-Martinez, D, Dumenil, G. | | Deposit date: | 2023-05-17 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
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8P2V
 | | Neisseria meningitidis Type IV pilus SB-GATDH variant | | Descriptor: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Neisseria meningitidis PilE variant SB-GATDH, SN-GLYCEROL-3-PHOSPHATE | | Authors: | Fernandez-Martinez, D, Dumenil, G. | | Deposit date: | 2023-05-16 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
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8P3B
 | | Neisseria meningitidis Type IV pilus SA-GATDH variant | | Descriptor: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Fimbrial protein, SN-GLYCEROL-3-PHOSPHATE | | Authors: | Fernandez-Martinez, D, Dumenil, G. | | Deposit date: | 2023-05-17 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
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