8DS8
 
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8DQQ
 | | Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin | | Descriptor: | 7-hydroxy-2H-chromen-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | Deposit date: | 2022-07-19 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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8DQP
 | | Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin | | Descriptor: | 1,2-ETHANEDIOL, 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one, ACETATE ION, ... | | Authors: | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | Deposit date: | 2022-07-19 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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8DQC
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8DP2
 | | Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine) | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-07-14 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine)
to be published
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8DOZ
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8DL2
 | | BoGH13ASus from Bacteroides ovatus bound to acarbose | | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | | Deposit date: | 2022-07-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
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8DL1
 | | BoGH13ASus-E523Q from Bacteroides ovatus bound to maltoheptaose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alpha amylase, ... | | Authors: | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | | Deposit date: | 2022-07-06 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
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8DKB
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8DK5
 | | Structure of 187bp LIN28b nucleosome with site 0 mutation | | Descriptor: | DNA (187-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2022-07-02 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
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8DJ6
 | | Sliding-clamp-ImuB peptide | | Descriptor: | ACETATE ION, Beta sliding clamp, FORMIC ACID, ... | | Authors: | Kapur, M.K, Gray, O.J, Honzatko, R.H, Nelson, S.N. | | Deposit date: | 2022-06-30 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interaction of sliding clamp with mycobacterial polymerases
To Be Published
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8DHT
 | | Crystal structure of a typeIII Rubisco | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ACETATE ION, GLYCEROL, ... | | Authors: | Qingqiu, H. | | Deposit date: | 2022-06-28 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal structure of a type III Rubisco in complex with its product 3-phosphoglycerate.
Proteins, 91, 2023
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8DHH
 | | DHODH IN COMPLEX WITH LIGAND 29 | | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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8DHG
 | | DHODH IN COMPLEX WITH LIGAND 19 | | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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8DHF
 | | DHODH IN COMPLEX WITH LIGAND 11 | | Descriptor: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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8DEI
 | | Structure of the Cac1 KER domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ... | | Authors: | Rosas, R, Churchill, M.E.A. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function.
Elife, 12, 2023
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8DDB
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8DAL
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-06-13 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8DA0
 | | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | Descriptor: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-3FTX-D09 Fab heavy chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8D9Z
 | | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | Descriptor: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8D9B
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9 | | Descriptor: | 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | Authors: | Watson, P.R, Christianson, D.W. | | Deposit date: | 2022-06-09 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D91
 | | Crystal structure of ChoE in complex with acetate and tetraethylammonium (TEA) | | Descriptor: | ACETATE ION, ChoE, TETRAETHYLAMMONIUM ION | | Authors: | Pham, V.D, Shi, R. | | Deposit date: | 2022-06-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
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8D8X
 | | Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2) | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Pham, V.D, Shi, R. | | Deposit date: | 2022-06-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
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8D89
 | | Crystal structure of a novel GH5 enzyme retrieved from capybara gut metagenome | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Martins, M.P, Morais, M.A.B, Murakami, M.T. | | Deposit date: | 2022-06-08 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Glycoside hydrolase subfamily GH5_57 features a highly redesigned catalytic interface to process complex hetero-beta-mannans.
Acta Crystallogr D Struct Biol, 78, 2022
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8D6N
 | | Q108K:K40L:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V | | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ... | | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B. | | Deposit date: | 2022-06-06 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
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