8GJZ
 
 | | Structure of a STING receptor from S. pistillata Sp-STING1 bound to 2'3'-cUA | | Descriptor: | 2'3'-cUA, Stimulator of interferon genes protein | | Authors: | Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
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4S31
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2LCW
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6C0N
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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7JY5
 | | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
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4RUP
 | | Crystal structure of zVDR L337H mutant-Gemini72 complex | | Descriptor: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Huet, T, Moras, D, Rochel, N. | | Deposit date: | 2014-11-21 | | Release date: | 2015-10-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
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6CGF
 | | Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-02-20 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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3K8S
 | | Crystal Structure of PPARg in complex with T2384 | | Descriptor: | 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Wang, Z. | | Deposit date: | 2009-10-14 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
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3JZC
 | | Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC | | Descriptor: | Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | | Authors: | Nascimento, A.S, Dias, S.G.M, Nunes, F.M, Aparicio, R. | | Deposit date: | 2009-09-23 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gaining ligand selectivity in thyroid hormone receptors via entropy.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2Y90
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8G2B
 | | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAphe, and aminoacylated P-site fMet-tRNAmet at 2.55A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-02-03 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it.
Nat.Chem.Biol., 20, 2024
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-12-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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3C5U
 | | P38 ALPHA map kinase complexed with a benzothiazole based inhibitor | | Descriptor: | 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2008-02-01 | | Release date: | 2008-03-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Benzothiazole based inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
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3K0C
 | | Crystal structure of the phosphorylation-site double mutant S431A/T432E of the KaiC circadian clock protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | | Authors: | Pattanayek, R, Egli, M, Pattanayek, S. | | Deposit date: | 2009-09-24 | | Release date: | 2010-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
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3BX5
 | | P38 alpha map kinase complexed with BMS-640994 | | Descriptor: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | | Authors: | Sack, J.S. | | Deposit date: | 2008-01-11 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
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4A8Y
 | | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | | Descriptor: | 5'-D(*TP*TP*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
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4S33
 | | ERK2 R65S mutant complexed with AMP-PNP | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Livnah, O, Karamansha, Y, Tzarum, N. | | Deposit date: | 2015-01-26 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Multiple mechanisms render Erk proteins MEK-independent
To be Published
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6B9M
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3KPZ
 | | Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor | | Authors: | Rochel, N, Moras, D. | | Deposit date: | 2009-11-17 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
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2BDV
 | | X-Ray Crystal Structure of Phage-related Protein BB2244 from Bordetella bronchiseptica. Northeast Structural Genomics Consortium Target BoR24. | | Descriptor: | phage-related conserved hypothetical protein, BB2244 | | Authors: | Forouhar, F, Abashidze, M, Benach, J, Jayaraman, S, Janjua, H, Cooper, B, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-10-20 | | Release date: | 2005-11-01 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the phage-related conserved hypothetical protein BB2244 from Bordetella bronchiseptica, Northeast Structural Genomics Target BoR24
To be Published
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6UHY
 | | WDR5 in complex with Myc site fragment inhibitor | | Descriptor: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 | | Authors: | Wang, F, Fesik, S.W. | | Deposit date: | 2019-09-29 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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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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6C0P
 | | Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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6C0J
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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6UHZ
 | | WDR5 in complex with Myc site fragment inhibitor | | Descriptor: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 | | Authors: | Wang, F, Fesik, S.w. | | Deposit date: | 2019-09-29 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.258 Å) | | Cite: | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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