5UOQ
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![BU of 5uoq by Molmil](/molmil-images/mine/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
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![BU of 1w9v by Molmil](/molmil-images/mine/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
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![BU of 1wb0 by Molmil](/molmil-images/mine/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
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![BU of 2wp1 by Molmil](/molmil-images/mine/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
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![BU of 1w9p by Molmil](/molmil-images/mine/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
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![BU of 5dkq by Molmil](/molmil-images/mine/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
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![BU of 7uo0 by Molmil](/molmil-images/mine/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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![BU of 5dah by Molmil](/molmil-images/mine/5dah) | |
7RFA
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![BU of 7rfa by Molmil](/molmil-images/mine/7rfa) | |
7UO1
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![BU of 7uo1 by Molmil](/molmil-images/mine/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
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![BU of 1vhh by Molmil](/molmil-images/mine/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
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![BU of 7uo2 by Molmil](/molmil-images/mine/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
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![BU of 7uo5 by Molmil](/molmil-images/mine/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
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![BU of 8bmq by Molmil](/molmil-images/mine/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
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![BU of 8bms by Molmil](/molmil-images/mine/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
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![BU of 8bmr by Molmil](/molmil-images/mine/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
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![BU of 8bmp by Molmil](/molmil-images/mine/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
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![BU of 5d3m by Molmil](/molmil-images/mine/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
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![BU of 1xo2 by Molmil](/molmil-images/mine/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
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![BU of 1xu7 by Molmil](/molmil-images/mine/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
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![BU of 6rh6 by Molmil](/molmil-images/mine/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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![BU of 7ujc by Molmil](/molmil-images/mine/7ujc) | |
5DDP
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![BU of 5ddp by Molmil](/molmil-images/mine/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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![BU of 7uj8 by Molmil](/molmil-images/mine/7uj8) | |
7UJF
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![BU of 7ujf by Molmil](/molmil-images/mine/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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