8TQG
 
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 | | Descriptor: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TR4
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TRY
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-10 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TQV
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-08 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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5CJH
 | | Crystal Structure of Eukaryotic Oxoiron MagKatG2 at pH 8.5 | | Descriptor: | Catalase-peroxidase 2, HYDROXIDE ION, Peroxidized Heme | | Authors: | Gasselhuber, B, Obinger, C, Fita, I, Carpena, X. | | Deposit date: | 2015-07-14 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Eukaryotic Catalase-Peroxidase: The Role of the Trp-Tyr-Met Adduct in Protein Stability, Substrate Accessibility, and Catalysis of Hydrogen Peroxide Dismutation.
Biochemistry, 54, 2015
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6D92
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-A non-canonical pair at position 3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-27 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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8FNY
 | | Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | | Deposit date: | 2022-12-28 | | Release date: | 2023-05-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3MP3
 | | Crystal Structure of Human Lyase in complex with inhibitor HG-CoA | | Descriptor: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-HYDROXYPENTANEDIOIC ACID, Hydroxymethylglutaryl-CoA lyase, ... | | Authors: | Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P. | | Deposit date: | 2010-04-24 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes.
J.Biol.Chem., 285, 2010
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3IIQ
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5VVR
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7UL8
 | | [T:Au+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-04-04 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (4.22 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
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5WOS
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1W9G
 | | Structure of ERH (Enhencer of Rudimentary Gene) | | Descriptor: | ENHANCER OF RUDIMENTARY HOMOLOG | | Authors: | Wan, C, Tempel, W, Liu, Z, Wang, B.-C, Rose, R.B. | | Deposit date: | 2004-10-13 | | Release date: | 2005-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Conserved Transcriptional Repressor Enhancer of Rudimentary Homolog
Biochemistry, 44, 2005
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2QT9
 | | Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor | | Descriptor: | (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G. | | Deposit date: | 2007-08-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
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2QTB
 | | Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor | | Descriptor: | (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G. | | Deposit date: | 2007-08-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
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4GF9
 | | Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ... | | Authors: | Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-08-03 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
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8DCN
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8DCM
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6D8P
 | | Ternary RsAgo Complex Containing Guide RNA Paired with Target DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D9L
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair | | Descriptor: | DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D95
 | | Ternary RsAgo Complex with Guide RNA Paired and Target DNA containing A8-A8' Non-Canonical Pair | | Descriptor: | DNA 24-Mer, MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*AP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-27 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D9K
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-G Non-canonical Pair | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*GP*GP*CP*AP*GP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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7OZQ
 | | Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop | | Descriptor: | 50S ribosomal protein L7Ae, ACETATE ION, CALCIUM ION, ... | | Authors: | Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W. | | Deposit date: | 2021-06-28 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Sci Rep, 11, 2021
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7SDM
 | | [U:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2021-09-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.01 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
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7SD7
 | | [C:Hg2+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2021-09-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
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