8BSC
 
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8QQI
 | | E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800 | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Ghilarov, D, Martin, N.I, van der Stelt, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-06-19 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
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8BQ2
 | | CryoEM structure of the pre-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ... | | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | | Deposit date: | 2022-11-18 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
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8K7H
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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3SI5
 | | Kinetochore-BUBR1 kinase complex | | Descriptor: | Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Protein CASC5 | | Authors: | Blundell, T.L, Chirgadze, D.Y, Bolanos-Garcia, V.M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site.
Structure, 19, 2011
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8BRR
 | | Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
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8BXL
 | | Patulin Synthase from Penicillium expansum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tjallinks, G, Boverio, A, Rozeboom, H.J, Fraaije, M.W. | | Deposit date: | 2022-12-09 | | Release date: | 2023-09-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin.
Febs J., 290, 2023
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8CE5
 | | Cytochrome c maturation complex CcmABCD, E154Q, ATP-bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | | Authors: | Ilcu, L, Zhang, L, Einsle, O. | | Deposit date: | 2023-02-01 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
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7NAY
 | | Crystal structure of lactate dehydrogenase from Selenomonas ruminantium with NADH. | | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, L-lactate dehydrogenase, ... | | Authors: | Bertrand, Q, Robin, A, Girard, E, Madern, D. | | Deposit date: | 2021-01-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
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6CQ8
 | | K2P2.1(TREK-1):ML335 complex | | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2018-03-14 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
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8BYG
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | | Deposit date: | 2022-12-12 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BRQ
 | | Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
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5N8O
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8K7D
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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8BR2
 | | CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ... | | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | | Deposit date: | 2022-11-22 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
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6CMZ
 | | 2.3 Angstrom Resolution Crystal Structure of Dihydrolipoamide Dehydrogenase from Burkholderia cenocepacia in Complex with FAD and NAD | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D-MALATE, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-03-06 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2.3 Angstrom Resolution Crystal Structure of Dihydrolipoamide Dehydrogenase from Burkholderia cenocepacia in Complex with FAD and NAD.
To Be Published
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5NGI
 | | Structure of XcpQN012 | | Descriptor: | Type II secretion system protein D | | Authors: | Cambillau, C, Roussel, A, Trinh, T.N. | | Deposit date: | 2017-03-17 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics.
MBio, 8, 2017
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8BZ9
 | | single soak stabilizer for ERa - 14-3-3 interaction (AZ354) | | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | | Deposit date: | 2022-12-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8K7I
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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8K7K
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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5NHG
 | | Crystal structure of the human dihydrolipoamide dehydrogenase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ... | | Authors: | Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2017-03-21 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
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5NIW
 | | Glucose oxydase mutant A2 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hoffmann, K, Frank, D. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
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8C46
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3P5G
 | | Structure of the carbohydrate-recognition domain of human Langerin with Blood group B trisaccharide (Gal alpha1-3(Fuc alpha1-2)Gal) | | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, alpha-L-fucopyranose, ... | | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2010-10-08 | | Release date: | 2010-12-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6027 Å) | | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
J.Mol.Biol., 405, 2011
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6CIN
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