6O9O
| Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-03-14 | Release date: | 2020-03-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors To be published
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3OMO
| Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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7QTL
| Influenza A/H7N9 polymerase elongation complex | Descriptor: | 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... | Authors: | Cusack, S, Kouba, T. | Deposit date: | 2022-01-14 | Release date: | 2022-12-28 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106. Cell Rep, 42, 2023
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3KZZ
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6K8I
| Crystal structure of Arabidopsis thaliana CRY2 | Descriptor: | Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ma, L, Wang, X, Guan, Z, Yin, P. | Deposit date: | 2019-06-12 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2. Nat.Struct.Mol.Biol., 27, 2020
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2EQY
| Solution structure of the ARID domain of Jarid1b protein | Descriptor: | Jumonji, AT rich interactive domain 1B | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the ARID domain of Jarid1b protein To be Published
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1MAA
| MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Taylor, P, Bougis, P.E, Marchot, P. | Deposit date: | 1998-11-04 | Release date: | 1999-04-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly. J.Biol.Chem., 274, 1999
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5WXN
| Structure of the LKB1 and 14-3-3 complex | Descriptor: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11 | Authors: | Ding, S, Shi, Z.B. | Deposit date: | 2017-01-08 | Release date: | 2017-04-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta Acta Crystallogr F Struct Biol Commun, 73, 2017
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3P89
| FXR bound to a quinolinecarboxylic acid | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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5JWP
| Crystal structure of human FIH D201E variant in complex with Zn, alpha-ketoglutarate, and HIF1 alpha peptide. | Descriptor: | 2-OXOGLUTARIC ACID, GLYCEROL, Hypoxia-inducible factor 1-alpha, ... | Authors: | Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J. | Deposit date: | 2016-05-12 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The facial triad in the alpha-ketoglutarate dependent oxygenase FIH: A role for sterics in linking substrate binding to O2 activation. J.Inorg.Biochem., 166, 2016
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3OSW
| Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA) | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL | Authors: | le Maire, A, Bourguet, W. | Deposit date: | 2010-09-10 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A. Environ.Health Perspect., 119, 2011
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3P88
| FXR bound to isoquinolinecarboxylic acid | Descriptor: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3OLL
| Crystal structure of phosphorylated estrogen receptor beta ligand binding domain | Descriptor: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-26 | Release date: | 2010-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
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3OMP
| Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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7RE3
| SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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7RE1
| SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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7RE2
| SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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4Y1L
| Ubc9 Homodimer The Missing Link in Poly-SUMO Chain Formation | Descriptor: | RWD domain-containing protein 3, SUMO-conjugating enzyme UBC9 | Authors: | Aileen, Y.A, Ambaye, N.D, Li, Y.J, Vega, R, Bzymek, K, Williams, J.C, Hu, W, Chen, Y. | Deposit date: | 2015-02-08 | Release date: | 2015-05-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | RWD Domain as an E2 (Ubc9)-Interaction Module. J.Biol.Chem., 290, 2015
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4XTQ
| Crystal structure of a mutant (C20S) of a near-infrared fluorescent protein BphP1-FP | Descriptor: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BphP1-FP/C20S, CHLORIDE ION | Authors: | Pletnev, S, Malashkevich, V.N. | Deposit date: | 2015-01-23 | Release date: | 2015-12-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins. Chem.Biol., 22, 2015
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3OSI
| Crystal structure of PPARgamma ligand binding domain in complex with tetrachloro-bisphenol A (TCBPA) | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL | Authors: | le Maire, A, Bourguet, W. | Deposit date: | 2010-09-09 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A. Environ.Health Perspect., 119, 2011
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7RDY
| SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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7RE0
| SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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5JWK
| Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Taabazuing, C.Y, Garman, S.C, Knapp, M.J, Eron, S. | Deposit date: | 2016-05-12 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate To Be Published
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3OZJ
| Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 | Descriptor: | (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ... | Authors: | Zhang, H, Li, L, Chen, L, Hu, L, Shen, X. | Deposit date: | 2010-09-25 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode J.Mol.Biol., 407, 2011
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6O9R
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