7D5K
 
 | | CryoEM structure of cotton cellulose synthase isoform 7 | | Descriptor: | Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L. | | Deposit date: | 2020-09-26 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
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6G9E
 | | Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU | | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | | Deposit date: | 2018-04-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease.
J Immunol Res, 2021, 2021
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5TM7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid | | Descriptor: | 7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TMW
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Descriptor: | 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.286 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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7SUA
 | | Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF4175 domain-containing protein | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2021-11-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii
To be Published
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6LUD
 | | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | | Deposit date: | 2020-01-27 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
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5TM4
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | | Descriptor: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5CWA
 | | Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound | | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Anthranilate synthase component 1, GLYCEROL, ... | | Authors: | Johnston, J.M, Bashiri, G, Evans, G.L, Lott, J.S, Baker, E.N. | | Deposit date: | 2015-07-28 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and inhibition of subunit I of the anthranilate synthase complex of Mycobacterium tuberculosis and expression of the active complex.
Acta Crystallogr.,Sect.D, 71, 2015
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5TMM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Descriptor: | 6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TN4
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the ACD-ring estrogen, (S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol | | Descriptor: | (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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8XTQ
 | | Comamonas testosteroni KF-1 circularly permuted group II intron 1S state | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (808-MER) | | Authors: | Wang, L, Xie, J.H, Zhang, C, Zou, J, Huang, Z.R, Shang, S.T, Chen, X.Y, Yang, Y, Liu, J, Dong, H.H, Huang, D.M, Su, Z.M. | | Deposit date: | 2024-01-11 | | Release date: | 2025-02-12 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural basis of circularly permuted group II intron self-splicing.
Nat.Struct.Mol.Biol., 32, 2025
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5D0V
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5TNM
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7JKS
 | | Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ... | | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | | Deposit date: | 2020-07-28 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
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7C04
 | | Crystal structure of human Trap1 with DN203492 | | Descriptor: | 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
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6QTG
 | | Crystal structure of human CDK8/CYCC in complex with BI-1347 | | Descriptor: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | | Authors: | Boettcher, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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8J3J
 | | Crystal structure of a bright green fluorescent protein (StayGold) with double mutations (Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, StayGold(Q140S, Y187F) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2023-04-17 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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3JYA
 | | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | | Descriptor: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Stoll, V.S. | | Deposit date: | 2009-09-21 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
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5YLG
 | | Crystal Structure of LysM domain from pteris ryukyuensis chitinase A | | Descriptor: | 1,2-ETHANEDIOL, Chitinase A, ZINC ION | | Authors: | Ohnuma, T, Kitaoku, Y, Umemoto, N, Numata, T, Fukamizo, T. | | Deposit date: | 2017-10-17 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of LysM domain from pteris ryukyuensis chitinase A
To Be Published
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3D7F
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5HZG
 | | The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex | | Descriptor: | (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ... | | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | | Deposit date: | 2016-02-02 | | Release date: | 2016-08-03 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
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5TM8
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid | | Descriptor: | 7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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6LUI
 | | Crystal structure of the SAMD1 WH domain and DNA complex | | Descriptor: | Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3') | | Authors: | Zhou, Y, Cao, Y, Wang, Z. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
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6LUJ
 | | Crystal structure of the SAMD1 SAM domain | | Descriptor: | Atherin, SULFATE ION | | Authors: | Cao, Y, Zhou, Y, Wang, Z. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
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5TM1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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