8G1S
| Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | Descriptor: | DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | Deposit date: | 2023-02-02 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand. Nat.Struct.Mol.Biol., 30, 2023
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8END
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8ENF
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8ENB
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8G00
| Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | Descriptor: | DNA (31-MER), DNA (39-mer), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | Deposit date: | 2023-01-31 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand. Nat.Struct.Mol.Biol., 30, 2023
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2JO9
| Mouse Itch 3rd WW domain complex with the Epstein-Barr virus latent membrane protein 2A derived peptide EEPPPPYED | Descriptor: | Itchy E3 ubiquitin protein ligase, Latent membrane protein 2 | Authors: | Macias, M.J, Shaw, A.Z, Martin-Malpartida, P, Morales, B, Ruiz, L, Ramirez-Espain, X, Yraola, F, Royo, M. | Deposit date: | 2007-03-01 | Release date: | 2007-04-17 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR Structural Studies of the ItchWW3 Domain Reveal that Phosphorylation at T30 Inhibits the Interaction with PPxY-Containing Ligands Structure, 15, 2007
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8TM0
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8TM2
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1D2R
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2AXA
| Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1 | Descriptor: | Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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3N8M
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1SJ0
| Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D | Descriptor: | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor | Authors: | Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L. | Deposit date: | 2004-03-02 | Release date: | 2004-04-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators. J.Med.Chem., 47, 2004
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2AX9
| Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3 | Descriptor: | (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, Androgen receptor | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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2AX8
| Crystal Structure Of The Androgen Receptor Ligand Binding Domain W741L Mutant In Complex With S-1 | Descriptor: | Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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4W9C
| pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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7SUR
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4W9D
| pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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7SUQ
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5DIT
| The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Feng, X, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2015-09-01 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands. J.Med.Chem., 58, 2015
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4W9H
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7) | Descriptor: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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5V0I
| Crystal Structure of Tryptophanyl-tRNA Synthetase from Escherichia coli Complexed with AMP and Tryptophan | Descriptor: | ADENOSINE MONOPHOSPHATE, FORMIC ACID, TRYPTOPHAN, ... | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Grimshaw, S.G, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Tryptophanyl-tRNA Synthetase from Escherichia coli Complexed with AMP and Tryptophan To Be Published
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8G4W
| Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ... | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | Deposit date: | 2023-02-10 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand. Nat.Struct.Mol.Biol., 30, 2023
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4TY9
| An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | Descriptor: | 5-(trifluoromethyl)pyridin-2-amine, Polyprotein | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | Deposit date: | 2014-07-08 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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4TYB
| An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | Descriptor: | (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | Deposit date: | 2014-07-08 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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4TYA
| An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | Descriptor: | 4-(trifluoromethyl)benzoic acid, Polyprotein | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | Deposit date: | 2014-07-08 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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