8SA6
 
 | | apo form of adenosylcobalamin riboswitch dimer | | Descriptor: | apo form of adenosylcobalamin riboswitch dimer | | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | Deposit date: | 2023-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SA5
 | | Adenosylcobalamin-bound riboswitch dimer, form 4 | | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 4 | | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | Deposit date: | 2023-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SSQ
 | | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-4 | | Descriptor: | DNA (35-MER) Strand 2, DNA (35-MER) Strand I, SODIUM ION, ... | | Authors: | Horton, J.R, Yang, J, Cheng, X. | | Deposit date: | 2023-05-08 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
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8SSR
 | | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-20 | | Descriptor: | DNA (35-MER) Strand I, DNA (35-MER) Strand II, SODIUM ION, ... | | Authors: | Horton, J.R, Yang, J, Cheng, X. | | Deposit date: | 2023-05-08 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
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8S9N
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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8STI
 | | human STING with agonist XMT-1616 | | Descriptor: | 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein | | Authors: | Duvall, J.R, Bukhalid, R.A. | | Deposit date: | 2023-05-10 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
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8S9O
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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3LN0
 | | Structure of compound 5c-S bound at the active site of COX-2 | | Descriptor: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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8SO0
 | | Cryo-EM structure of the PP2A:B55-FAM122A complex | | Descriptor: | FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, ... | | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | | Deposit date: | 2023-04-28 | | Release date: | 2023-10-25 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.79961 Å) | | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
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8SMJ
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8SMH
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8SP1
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6OX3
 | | SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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6OX1
 | | SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated | | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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3LN1
 | | Structure of celecoxib bound at the COX-2 active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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8SVI
 | | Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVJ
 | | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVG
 | | Ubiquitin variant i53 in complex with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVH
 | | Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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6OX4
 | | A SETD3 Mutant (N255A) in Complex with an Actin Peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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8SJK
 | | Pembrolizumab Caffeine crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ... | | Authors: | Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Small-Angle X-ray Scattering as a Powerful Tool for Phase and Crystallinity Assessment of Monoclonal Antibody Crystallites in Support of Batch Crystallization.
Mol Pharm., 21, 2024
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8I5T
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8I5U
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6OX5
 | | A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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6OX2
 | | SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated | | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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