7AXG
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![BU of 7axg by Molmil](/molmil-images/mine/7axg) | Crystal structure of the hPXR-LBD in complex with tributyltin | Descriptor: | Nuclear receptor subfamily 1 group I member 2, tributylstannanyl | Authors: | Delfosse, V, Huet, T, Blanc, P, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7B19
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![BU of 7b19 by Molmil](/molmil-images/mine/7b19) | Mutant Myosin-II-GGG motor domain | Descriptor: | ADP METAVANADATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ewert, W, Preller, M. | Deposit date: | 2020-11-24 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release. Int J Mol Sci, 22, 2020
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6UUQ
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![BU of 6uuq by Molmil](/molmil-images/mine/6uuq) | Structure of Calcineurin bound to RCAN1 | Descriptor: | Calcipressin-1, FE (III) ION, PHOSPHATE ION, ... | Authors: | Sheftic, S, Page, R, Peti, W. | Deposit date: | 2019-10-31 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin. Sci Adv, 6, 2020
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7AX9
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![BU of 7ax9 by Molmil](/molmil-images/mine/7ax9) | Crystal structure of the hPXR-LBD in complex with cis-chlordane | Descriptor: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Granell, M, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXH
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![BU of 7axh by Molmil](/molmil-images/mine/7axh) | Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | Authors: | Huet, T, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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6V06
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![BU of 6v06 by Molmil](/molmil-images/mine/6v06) | Crystal structure of Beta-2 glycoprotein I purified from plasma (pB2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-glycoprotein 1, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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6V09
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![BU of 6v09 by Molmil](/molmil-images/mine/6v09) | Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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6V0V
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![BU of 6v0v by Molmil](/molmil-images/mine/6v0v) | Cryo-EM structure of mouse WT RAG1/2 NFC complex (DNA0) | Descriptor: | CALCIUM ION, DNA (30-MER), V(D)J recombination-activating protein 1, ... | Authors: | Chen, X, Yang, W, Gellert, M. | Deposit date: | 2019-11-19 | Release date: | 2020-01-29 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Cutting antiparallel DNA strands in a single active site. Nat.Struct.Mol.Biol., 27, 2020
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7AIJ
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![BU of 7aij by Molmil](/molmil-images/mine/7aij) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | Deposit date: | 2020-09-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues. J.Med.Chem., 64, 2021
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5F8P
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![BU of 5f8p by Molmil](/molmil-images/mine/5f8p) | A Novel Inhibitor of the Obesity-Related Protein FTO | Descriptor: | 2-OXOGLUTARIC ACID, 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | Authors: | Chai, J, Zhou, B, Liu, W, Han, Z. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of FTO-CHTB To Be Published
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6UP3
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![BU of 6up3 by Molmil](/molmil-images/mine/6up3) | |
7AL5
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![BU of 7al5 by Molmil](/molmil-images/mine/7al5) | |
7AL6
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![BU of 7al6 by Molmil](/molmil-images/mine/7al6) | |
5FKN
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![BU of 5fkn by Molmil](/molmil-images/mine/5fkn) | TetR(D) T103A mutant in complex with anhydrotetracycline and magnesium, P4(3)2(1)2 | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2015-10-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
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7AXD
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![BU of 7axd by Molmil](/molmil-images/mine/7axd) | |
7AXL
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![BU of 7axl by Molmil](/molmil-images/mine/7axl) | Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ... | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AX8
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![BU of 7ax8 by Molmil](/molmil-images/mine/7ax8) | |
7AXE
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![BU of 7axe by Molmil](/molmil-images/mine/7axe) | Crystal structure of the hPXR-LBD in complex with oxadiazon | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | Authors: | Harrus, D, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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5FHP
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![BU of 5fhp by Molmil](/molmil-images/mine/5fhp) | SeMet regulator of nicotine degradation | Descriptor: | GLYCEROL, MALONIC ACID, NicR | Authors: | Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P. | Deposit date: | 2015-12-22 | Release date: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Co-crystal Structure of NicR2_Hsp To Be Published
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6UP2
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5FI4
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![BU of 5fi4 by Molmil](/molmil-images/mine/5fi4) | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | Authors: | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | Deposit date: | 2015-12-22 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. Bioorg.Med.Chem.Lett., 26, 2016
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7AIF
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![BU of 7aif by Molmil](/molmil-images/mine/7aif) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | Deposit date: | 2020-09-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues. J.Med.Chem., 64, 2021
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7AXK
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![BU of 7axk by Molmil](/molmil-images/mine/7axk) | Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ... | Authors: | Huet, T, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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6UR4
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![BU of 6ur4 by Molmil](/molmil-images/mine/6ur4) | |
7AID
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![BU of 7aid by Molmil](/molmil-images/mine/7aid) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR | Descriptor: | D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | Deposit date: | 2020-09-26 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues. J.Med.Chem., 64, 2021
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