6OX0
 
 | | SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor | | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | | 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 (1.755 Å) | | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
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4HYE
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6OHW
 | | Structural basis for human coronavirus attachment to sialic acid receptors. Apo-HCoV-OC43 S | | 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 surface glycoprotein, ... | | Authors: | Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D. | | Deposit date: | 2019-04-07 | | Release date: | 2019-06-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for human coronavirus attachment to sialic acid receptors.
Nat.Struct.Mol.Biol., 26, 2019
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6HS1
 | | EthR2 in complex with compound 9 (BDM76060) | | Descriptor: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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6HRY
 | | EthR2 in complex with compound 3 (BDM72719) | | Descriptor: | 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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3CDP
 | | Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | | Descriptor: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F. | | Deposit date: | 2008-02-27 | | Release date: | 2009-01-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
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6HRZ
 | | EthR2 in complex with compound 4 (BDM72170) | | Descriptor: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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3CDS
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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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8QPP
 | | Bacillus subtilis MutS2-collided disome complex (stalled 70S) | | Descriptor: | 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | | Deposit date: | 2023-10-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage.
Embo J., 43, 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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3BC5
 | | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | | Descriptor: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2007-11-12 | | Release date: | 2008-11-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
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8R55
 | | Bacillus subtilis MutS2-collided disome complex (collided 70S) | | Descriptor: | 16S rRNA (1533-MER), 23S RNA (2887-MER), 30S ribosomal protein S10, ... | | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | | Deposit date: | 2023-11-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage.
Embo J., 43, 2024
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | Deposit date: | 2007-10-22 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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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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3CNV
 | | Crystal structure of the ligand-binding domain of a putative GntR-family transcriptional regulator from Bordetella bronchiseptica | | Descriptor: | CHLORIDE ION, CITRATE ANION, Putative GntR-family transcriptional regulator | | Authors: | Zimmerman, M.D, Xu, X, Cui, H, Filippova, E.V, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-03-26 | | Release date: | 2008-04-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the ligand-binding domain of a putative GntR-family transcriptional regulator from Bordetella bronchiseptica.
To be Published
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6PCW
 | | Human PIM1 bound to benzothiophene inhibitor 213 | | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PIM1 bound to benzothiophene inhibitor
To Be Published
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3HTH
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8QFC
 | | UFL1 E3 ligase bound 60S ribosome | | Descriptor: | 60S ribosomal protein L10a, CDK5 regulatory subunit-associated protein 3, DDRGK domain-containing protein 1, ... | | Authors: | Makhlouf, L, Zeqiraj, E, Kulathu, Y. | | Deposit date: | 2023-09-04 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
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3C2B
 | | Crystal structure of TetR transcriptional regulator from Agrobacterium tumefaciens | | Descriptor: | FORMIC ACID, Transcriptional regulator, TetR family | | Authors: | Osipiuk, J, Skarina, T, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-01-24 | | Release date: | 2008-02-05 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray crystal structure of TetR transcriptional regulator from Agrobacterium tumefaciens.
To be Published
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3I0R
 | | crystal structure of HIV reverse transcriptase in complex with inhibitor 3 | | Descriptor: | Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT | | Authors: | Yan, Y, Prasad, S. | | Deposit date: | 2009-06-25 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
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6R7Q
 | | Structure of XBP1u-paused ribosome nascent chain complex with Sec61. | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | | Authors: | Shanmuganathan, V, Cheng, J, Braunger, K, Berninghausen, O, Beatrix, B, Beckmann, R. | | Deposit date: | 2019-03-29 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
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4IQX
 | | Mutant P44S P169S M296I of Foot-and-mouth disease Virus RNA-dependent RNA polymerase | | Descriptor: | 3D polymerase, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*CP*CP*C)-3') | | Authors: | Ferrer-Orta, C, Verdaguer, N, Agudo, R, Perez-Luque, R. | | Deposit date: | 2013-01-14 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A multi-step process of viral adaptation to a mutagenic nucleoside analogue by modulation of transition types leads to extinction-escape.
Plos Pathog., 6, 2010
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