4H4O
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor | | Descriptor: | (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2012-09-17 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
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2ZK2
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with glutathion conjugated 15-deoxy-delta12,14-prostaglandin J2 | | Descriptor: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, GLUTATHIONE, Peroxisome proliferator-activated receptor gamma | | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | | Deposit date: | 2008-03-12 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
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2ZNP
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 | | Descriptor: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | | Authors: | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | | Deposit date: | 2008-04-30 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZK6
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY | | Descriptor: | Peroxisome proliferator-activated receptor gamma, difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron | | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | | Deposit date: | 2008-03-12 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
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3GBK
 | | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist | | Descriptor: | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y. | | Deposit date: | 2009-02-19 | | Release date: | 2009-12-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists
J.Med.Chem., 52, 2009
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3B6C
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3FUR
 | | Crystal Structure of PPARg in complex with INT131 | | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | | Authors: | Wang, Z, Liu, J, Walker, N. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
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3ADV
 | | Human PPARgamma ligand-binding domain in complex with serotonin | | Descriptor: | Peroxisome proliferator-activated receptor gamma, SEROTONIN | | Authors: | Waku, T, Shiraki, T, Oyama, T, Morikawa, K. | | Deposit date: | 2010-01-29 | | Release date: | 2010-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
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2X6S
 | | Human foamy virus integrase - catalytic core. Magnesium-bound structure. | | Descriptor: | INTEGRASE, MAGNESIUM ION | | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A. | | Deposit date: | 2010-02-19 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
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3DR1
 | | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor | | Descriptor: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol, MAGNESIUM ION, SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1, ... | | Authors: | Sato, Y, Rochel, N, Moras, D. | | Deposit date: | 2008-07-10 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Superagonistic fluorinated vitamin D3 analogs stabilize helix 12 of the vitamin D receptor.
Chem.Biol., 15, 2008
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7CMR
 | | The Crystal Structure of human MYST1 from Biortus. | | Descriptor: | GLYCEROL, Histone acetyltransferase KAT8, ZINC ION | | Authors: | Wang, F, Lin, D, Lv, Z, Xu, X, Tan, J, Shang, H. | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of human MYST1 from Biortus.
To Be Published
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2CUE
 | | Solution structure of the homeobox domain of the human paired box protein Pax-6 | | Descriptor: | Paired box protein Pax6 | | Authors: | Ohnishi, S, Kigawa, T, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-26 | | Release date: | 2005-11-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the homeobox domain of the human paired box protein Pax-6
To be Published
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3GD2
 | | isoxazole ligand bound to farnesoid X receptor (FXR) | | Descriptor: | 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide | | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B. | | Deposit date: | 2009-02-23 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
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2LXT
 | | Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core | | Descriptor: | CREB-binding protein, Cyclic AMP-responsive element-binding protein 1, Histone-lysine N-methyltransferase MLL | | Authors: | Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M. | | Deposit date: | 2012-08-31 | | Release date: | 2013-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
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2FA5
 | | The crystal structure of an unliganded multiple antibiotic-resistance repressor (MarR) from Xanthomonas campestris | | Descriptor: | CHLORIDE ION, transcriptional regulator marR/emrR family | | Authors: | Chin, K.H, Tu, Z.L, Li, J.N, Chou, C.C, Wang, A.H.J, Chou, S.H. | | Deposit date: | 2005-12-06 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of XC1739: a putative multiple antibiotic-resistance repressor (MarR) from Xanthomonas campestris at 1.8 A resolution
Proteins, 65, 2006
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3G8I
 | | Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes | | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | Authors: | Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | | Deposit date: | 2009-02-12 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
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3G9E
 | | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | | Deposit date: | 2009-02-13 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
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2ZXN
 | | A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Ikura, T, Ito, N. | | Deposit date: | 2009-01-04 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
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3ADT
 | | Human PPARgamma ligand-binding domain in complex with 5-hydroxy-indole acetate | | Descriptor: | (5-hydroxy-1H-indol-3-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Waku, T, Shiraki, T, Oyama, T, Morikawa, K. | | Deposit date: | 2010-01-29 | | Release date: | 2010-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
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2F8B
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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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3C6T
 | | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 | | Descriptor: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase | | Authors: | Yan, Y, Prasad, S. | | Deposit date: | 2008-02-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
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2NB1
 | | P63/p73 hetero-tetramerisation domain | | Descriptor: | Tumor protein 63, Tumor protein p73 | | Authors: | Gebel, J, Buchner, L, Loehr, F.M, Luh, L.M, Coutandin, D, Guentert, P, Doetsch, V. | | Deposit date: | 2016-01-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization.
Cell Death Differ., 23, 2016
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2EWL
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2GEN
 | | Structural Genomics, the crystal structure of a probable transcriptional regulator from Pseudomonas aeruginosa PAO1 | | Descriptor: | probable transcriptional regulator | | Authors: | Tan, K, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-20 | | Release date: | 2006-04-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of a probable transcriptional regulator from Pseudomonas aeruginosa PAO1
To be Published
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