6WVO
 
 | | Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD and HI-6 | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | | Deposit date: | 2020-05-06 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Chem.Res.Toxicol., 34, 2021
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6XZG
 | | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 3 | | Descriptor: | Influenza viral RNA (vRNA) promoter 47mer, LRRcap domain-containing protein, Polymerase acidic protein, ... | | Authors: | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-04 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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7AD6
 | | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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7AD7
 | | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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6X1J
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5E6H
 | | A Linked Jumonji Domain of the KDM5A Lysine Demethylase | | Descriptor: | 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2015-10-09 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.238 Å) | | Cite: | Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases.
J.Biol.Chem., 291, 2016
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6X7Q
 | | Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | | Descriptor: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
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6X7O
 | | LnmK in complex with 2-sulfonate-propionyl-CoA | | Descriptor: | (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6X6P
 | | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | | Deposit date: | 2020-05-28 | | Release date: | 2020-06-10 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
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6X7N
 | | LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | Descriptor: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6X7R
 | | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
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6X9I
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6X9K
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6X9J
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6XE4
 | | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
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6X7M
 | | LnmK in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | | Descriptor: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6XBS
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA
To Be Published
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6XZR
 | | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 1 | | Descriptor: | LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6XZQ
 | | Influenza C virus polymerase in complex with human ANP32A - Subclass 1 | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6XBQ
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA | | Descriptor: | CARBOXYMETHYLDETHIA COENZYME *A, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
To Be Published
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6X7L
 | | LnmK in complex with 2-nitronate-propionyl-CoA | | Descriptor: | ALANINE, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6XBT
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA | | Descriptor: | COBALT (II) ION, COENZYME A, Methylmalonyl-CoA epimerase, ... | | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA
To Be Published
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6X7P
 | | LnmK in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA | | Descriptor: | (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, Conserved hypthetical protein, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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7B5N
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-UBE2L3~Ub~ARIH1. | | Descriptor: | 5-azanylpentan-2-one, Cullin-1, E3 ubiquitin-protein ligase ARIH1, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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7B5R
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 | | Descriptor: | Cullin-1, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-07 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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