5UOQ
 
 | | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 31) | | Descriptor: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile, GLYCEROL, INTEGRASE, ... | | Authors: | Klein, D.J. | | Deposit date: | 2017-02-01 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
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1W9V
 | | Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus | | Descriptor: | ARGIFIN, CHITINASE, SULFATE ION | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | | Deposit date: | 2004-10-19 | | Release date: | 2005-01-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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1WB0
 | | specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase | | Descriptor: | ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ... | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | | Deposit date: | 2004-10-29 | | Release date: | 2005-01-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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2WP1
 | | Structure of Brdt bromodomain 2 bound to an acetylated histone H3 peptide | | Descriptor: | BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H3 | | Authors: | Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C. | | Deposit date: | 2009-08-02 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain.
Nature, 461, 2009
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1W9P
 | | Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra | | Descriptor: | CHITINASE, SULFATE ION | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | | Deposit date: | 2004-10-15 | | Release date: | 2004-10-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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7UO0
 | | E.coli RNaseP Holoenzyme with Mg2+ | | Descriptor: | CALCIUM ION, Precursor tRNA substrate G(-1) G(-2), RNase P RNA, ... | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-04-12 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
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5DAH
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7RFA
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7UO1
 | | E.coli RNaseP Holoenzyme with Mg2+ | | Descriptor: | CALCIUM ION, E.coli RNase P RNA, Precursor tRNA substrate U(-1) and A(-2), ... | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-04-12 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
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1VHH
 | | A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC HEDGEHOG | | Descriptor: | SONIC HEDGEHOG, SULFATE ION, ZINC ION | | Authors: | Hall, T.M.T, Porter, J.A, Beachy, P.A, Leahy, D.J. | | Deposit date: | 1995-10-03 | | Release date: | 1996-01-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A potential catalytic site revealed by the 1.7-A crystal structure of the amino-terminal signalling domain of Sonic hedgehog.
Nature, 378, 1995
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7UO2
 | | E.coli RNaseP Holoenzyme with Mg2+ | | Descriptor: | MAGNESIUM ION, RNase P RNA, Ribonuclease P protein component | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-04-12 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
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7UO5
 | | E.coli RNaseP Holoenzyme with Mg2+ | | Descriptor: | CALCIUM ION, RNase P RNA, Ribonuclease P protein component | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-04-12 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
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8BMQ
 | | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to AMP-PNP | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMS
 | | Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMR
 | | Cryo-EM structure of the wild-type solitary ECF module in MSP2N2 lipid nanodiscs in the ATPase open and nucleotide-free conformation | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMP
 | | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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5D3M
 | | Folate ECF transporter: AMPPNP bound state | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Guskov, A, Swier, L.J.Y.M, Slotboom, D.J. | | Deposit date: | 2015-08-06 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structural insight in the toppling mechanism of an energy-coupling factor transporter.
Nat Commun, 7, 2016
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1XO2
 | | Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin | | Descriptor: | 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin | | Authors: | Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U. | | Deposit date: | 2004-10-05 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.
J.Med.Chem., 48, 2005
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1XU7
 | | Crystal Structure of the Interface Open Conformation of Tetrameric 11b-HSD1 | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ... | | Authors: | Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K. | | Deposit date: | 2004-10-25 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation.
J.Biol.Chem., 280, 2005
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6RH6
 | | Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163 | | Descriptor: | AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1 | | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T. | | Deposit date: | 2019-04-18 | | Release date: | 2019-09-04 | | Method: | SOLUTION NMR | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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7UJC
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5DDP
 | | L-glutamine riboswitch bound with L-glutamine | | Descriptor: | GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ... | | Authors: | Ren, A, Patel, D.J. | | Deposit date: | 2015-08-25 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
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7UJ8
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7UJF
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties | | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-30 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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