8QXN
| Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
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8QXK
| Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
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8QXO
| Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
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5X0R
| Crystal Structure of PXR LBD Complexed with SJB7 | Descriptor: | 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | Authors: | Lv, L, Lin, W, Chai, S.C, Zhang, Q, Chen, T. | Deposit date: | 2017-01-23 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | SPA70 is a potent antagonist of human pregnane X receptor. Nat Commun, 8, 2017
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1NYQ
| Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with an analogue of threonyl adenylate | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, ZINC ION, threonyl-tRNA synthetase 1 | Authors: | Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D. | Deposit date: | 2003-02-13 | Release date: | 2003-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase J.Mol.Biol., 331, 2003
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5VB5
| X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide | Descriptor: | N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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6SXO
| Cryo-EM structure of the human Ebp1-ribosome complex | Descriptor: | 28S ribosomal RNA including ES27L-B (2839-3265), 5.8S ribosomal RNA, 60S ribosomal protein L19, ... | Authors: | Wild, K, Aleksic, M, Pfeffer, M, Sinning, I. | Deposit date: | 2019-09-26 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | MetAP-like Ebp1 occupies the human ribosomal tunnel exit and recruits flexible rRNA expansion segments. Nat Commun, 11, 2020
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2WPH
| factor IXa superactive triple mutant | Descriptor: | CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ... | Authors: | Zogg, T, Brandstetter, H. | Deposit date: | 2009-08-06 | Release date: | 2009-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa Structure, 17, 2009
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2OR3
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1MXO
| AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
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1MY8
| AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | Deposit date: | 2002-10-03 | Release date: | 2003-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
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1N33
| Structure of the Thermus thermophilus 30S ribosomal subunit bound to codon and near-cognate transfer rna anticodon stem-loop mismatched at the second codon position at the a site with paromomycin | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Murphy IV, F.V, Tarry, M.J, Ramakrishnan, V. | Deposit date: | 2002-10-25 | Release date: | 2002-11-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Selection of tRNA by the Ribosome Requires a Transition from an Open to a Closed Form Cell(Cambridge,Mass.), 111, 2002
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5WR1
| Covalent bond formation of bifunctional ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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6SJM
| Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) | Descriptor: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-13 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. Acs Med.Chem.Lett., 10, 2019
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5YXL
| A ligand M binding to FXR | Descriptor: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Yi, L, Yong, L. | Deposit date: | 2017-12-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A ligand M binding to FXR To Be Published
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6SO2
| Fragment N13460a in complex with MAP kinase p38-alpha | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-28 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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1N36
| Structure of the Thermus thermophilus 30S ribosomal subunit in the presence of crystallographically disordered codon and near-cognate transfer RNA anticodon stem-loop mismatched at the second codon position | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Murphy IV, F.V, Tarry, M.J, Ramakrishnan, V. | Deposit date: | 2002-10-25 | Release date: | 2002-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Selection of tRNA by the Ribosome Requires a Transition from an Open to a Closed Form Cell(Cambridge,Mass.), 111, 2002
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6SPL
| Fragment KCL615 in complex with MAP kinase p38-alpha | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-09-01 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5ZA1
| Ligand complex of RORgt LBD | Descriptor: | 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... | Authors: | Yamamoto, S, Yamaguchi, H. | Deposit date: | 2018-02-06 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003. Bioorg. Med. Chem. Lett., 28, 2018
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5TOA
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2YJR
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5YXB
| A ligand binding to FXR | Descriptor: | 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Yi, L, Yong, L. | Deposit date: | 2017-12-04 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A ligand binding to FXR To Be Published
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1MMS
| Crystal structure of the ribosomal PROTEIN L11-RNA complex | Descriptor: | 23S RIBOSOMAL RNA, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Wimberly, B.T, Guymon, R, Mccutcheon, J.P, White, S.W, Ramakrishnan, V. | Deposit date: | 1999-04-14 | Release date: | 2000-04-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | A detailed view of a ribosomal active site: the structure of the L11-RNA complex. Cell(Cambridge,Mass.), 97, 1999
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5Z5S
| Crystal structure of the PPARgamma-LBD complexed with compound 13ab | Descriptor: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-19 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
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1M3W
| Crystal Structure of a Molecular Maquette Scaffold | Descriptor: | H10H24, MERCURY (II) ION | Authors: | Huang, S.S, Gibney, B.R, Stayrook, S.E, Dutton, P.L, Lewis, M. | Deposit date: | 2002-07-01 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Structure of a Maquette Scaffold J.Mol.Biol., 326, 2003
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