7DFY
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![BU of 7dfy by Molmil](/molmil-images/mine/7dfy) | Novel motif for left-handed G-quadruplex formation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2xMotif2, POTASSIUM ION, ... | Authors: | Das, P, Winnerdy, F.R, Maity, A, Mechulam, Y, Phan, A.T. | Deposit date: | 2020-11-10 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A novel minimal motif for left-handed G-quadruplex formation. Chem.Commun.(Camb.), 57, 2021
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6QJO
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![BU of 6qjo by Molmil](/molmil-images/mine/6qjo) | DNA containing both right- and left-handed parallel-stranded G-quadruplexes | Descriptor: | DNA (28-MER), POTASSIUM ION | Authors: | Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Schmitt, E, Mechulam, Y, Phan, A.T. | Deposit date: | 2019-01-24 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes. Nucleic Acids Res., 47, 2019
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3OSW
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![BU of 3osw by Molmil](/molmil-images/mine/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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3OSI
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![BU of 3osi by Molmil](/molmil-images/mine/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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3KMZ
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![BU of 3kmz by Molmil](/molmil-images/mine/3kmz) | Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment | Descriptor: | 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid, GLYCEROL, Nuclear receptor corepressor 1, ... | Authors: | Bourguet, W, le Maire, A. | Deposit date: | 2009-11-11 | Release date: | 2010-06-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor. Nat.Struct.Mol.Biol., 17, 2010
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4CSJ
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![BU of 4csj by Molmil](/molmil-images/mine/4csj) | The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | Deposit date: | 2014-03-07 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation. Bioorg.Med.Chem.Lett., 24, 2014
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4O24
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![BU of 4o24 by Molmil](/molmil-images/mine/4o24) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-16 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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4O4K
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![BU of 4o4k by Molmil](/molmil-images/mine/4o4k) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-18 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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3PBA
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![BU of 3pba by Molmil](/molmil-images/mine/3pba) | Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA) | Descriptor: | 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL | Authors: | le Maire, A, Bourguet, W. | Deposit date: | 2010-10-20 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Novel Ligands of ER{alpha}, Er{beta}, and PPAR{gamma}: The Case of Halogenated Bisphenol A and Their Conjugated Metabolites. Toxicol Sci, 122, 2011
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4O43
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![BU of 4o43 by Molmil](/molmil-images/mine/4o43) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-18 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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4O5G
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![BU of 4o5g by Molmil](/molmil-images/mine/4o5g) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-19 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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4NZV
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![BU of 4nzv by Molmil](/molmil-images/mine/4nzv) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | Exonuclease, putative, MANGANESE (II) ION | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-12 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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2VE7
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![BU of 2ve7 by Molmil](/molmil-images/mine/2ve7) | Crystal structure of a bonsai version of the human Ndc80 complex | Descriptor: | GLYCEROL, KINETOCHORE PROTEIN HEC1, KINETOCHORE PROTEIN SPC25, ... | Authors: | Ciferri, C, Pasqualato, S, Dos Reis, G, Screpanti, E, Maiolica, A, Polka, J, De Luca, J.G, De Wulf, P, Salek, M, Rappsilber, J, Moores, C.A, Salmon, E.D, Musacchio, A. | Deposit date: | 2007-10-17 | Release date: | 2008-05-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Implications for Kinetochore-Microtubule Attachment from the Structure of an Engineered Ndc80 Complex Cell(Cambridge,Mass.), 133, 2008
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3KWY
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![BU of 3kwy by Molmil](/molmil-images/mine/3kwy) | |
3NFR
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![BU of 3nfr by Molmil](/molmil-images/mine/3nfr) | Casimiroin analog inhibitor of quinone reductase 2 | Descriptor: | 6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sturdy, M, Mesecar, A.D, Jermihov, K, Cushman, M, Maiti, A. | Deposit date: | 2010-06-10 | Release date: | 2012-01-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 To be Published
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3PO9
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![BU of 3po9 by Molmil](/molmil-images/mine/3po9) | |
2V1N
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![BU of 2v1n by Molmil](/molmil-images/mine/2v1n) | SOLUTION STRUCTURE OF THE REGION 51-160 OF HUMAN KIN17 REVEALS A WINGED HELIX FOLD | Descriptor: | PROTEIN KIN HOMOLOG | Authors: | Carlier, L, Le Maire, A, Gondry, M, Guilhaudis, L, Milazzo, I, Davoust, D, Couprie, J, Gilquin, B, Zinn-Justin, S. | Deposit date: | 2007-05-27 | Release date: | 2007-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Region 51-160 of Human Kin17 Reveals an Atypical Winged Helix Domain Protein Sci., 16, 2007
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4HOR
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![BU of 4hor by Molmil](/molmil-images/mine/4hor) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3') | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOU
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![BU of 4hou by Molmil](/molmil-images/mine/4hou) | Crystal Structure of N-terminal Human IFIT1 | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 1 | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-30 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOT
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![BU of 4hot by Molmil](/molmil-images/mine/4hot) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligoadenine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(ATP)P*AP*AP*A)-3') | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOS
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![BU of 4hos by Molmil](/molmil-images/mine/4hos) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligouridine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, RNA (5'-R(*(UTP)P*UP*UP*U)-3'), SODIUM ION | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOQ
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![BU of 4hoq by Molmil](/molmil-images/mine/4hoq) | Crystal Structure of Full-Length Human IFIT5 | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5 | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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7BK4
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![BU of 7bk4 by Molmil](/molmil-images/mine/7bk4) | Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | Descriptor: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | le Maire, A, Bourguet, W. | Deposit date: | 2021-01-15 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
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7AOS
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![BU of 7aos by Molmil](/molmil-images/mine/7aos) | crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... | Authors: | le Maire, A, Guee, L, Bourguet, W. | Deposit date: | 2020-10-15 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
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7APO
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![BU of 7apo by Molmil](/molmil-images/mine/7apo) | Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ... | Authors: | le Maire, A, Guee, L, Bourguet, W. | Deposit date: | 2020-10-19 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
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