5IOF
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4IDS
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8R8T
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7ZM9
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![BU of 7zm9 by Molmil](/molmil-images/mine/7zm9) | Ketosynthase domain 3 of Brevibacillus Brevis orphan BGC11 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Putative polyketide synthase | Authors: | Tittes, Y.U, Herbst, D.A, Jakob, R.P, Maier, T. | Deposit date: | 2022-04-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The structure of a polyketide synthase bimodule core. Sci Adv, 8, 2022
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7ZMF
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![BU of 7zmf by Molmil](/molmil-images/mine/7zmf) | Dehydratase domain of module 3 from Brevibacillus Brevis orphan BGC11 | Descriptor: | GLYCEROL, MAGNESIUM ION, Putative polyketide synthase | Authors: | Tittes, Y.U, Herbst, D.A, Jakob, R.P, Maier, T. | Deposit date: | 2022-04-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The structure of a polyketide synthase bimodule core. Sci Adv, 8, 2022
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8RGQ
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![BU of 8rgq by Molmil](/molmil-images/mine/8rgq) | Open Complex I from murine liver | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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2HF9
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![BU of 2hf9 by Molmil](/molmil-images/mine/2hf9) | Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Probable hydrogenase nickel incorporation protein hypB, ... | Authors: | Gasper, R, Scrima, A, Wittinghofer, A. | Deposit date: | 2006-06-23 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into HypB, a GTP-binding protein that regulates metal binding. J.Biol.Chem., 281, 2006
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7DKH
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![BU of 7dkh by Molmil](/molmil-images/mine/7dkh) | Crystal structure of the Ctr9/Paf1/Cdc73/Rtf1 quaternary complex | Descriptor: | Cell division control protein 73, RNA polymerase II-associated protein 1, RNA polymerase-associated protein CTR9, ... | Authors: | Chen, F.L, Liu, B.B, Guo, L, Li, D.F, Zhou, H, Long, J.F. | Deposit date: | 2020-11-24 | Release date: | 2021-11-24 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Core Module of the Yeast Paf1 Complex. J.Mol.Biol., 434, 2021
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6M93
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![BU of 6m93 by Molmil](/molmil-images/mine/6m93) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex | Descriptor: | 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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5IM3
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2GM9
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![BU of 2gm9 by Molmil](/molmil-images/mine/2gm9) | Structure of rabbit muscle glycogen phosphorylase in complex with thienopyrrole | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | Authors: | Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Minshull, C, Rowsell, S, Pauptit, R.A. | Deposit date: | 2006-04-06 | Release date: | 2007-02-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies. Bioorg.Med.Chem.Lett., 16, 2006
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6M9K
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6MA6
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![BU of 6ma6 by Molmil](/molmil-images/mine/6ma6) | Human CYP3A4 bound to an inhibitor metyrapone | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-08-26 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules. Biochemistry, 58, 2019
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7ZNT
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![BU of 7znt by Molmil](/molmil-images/mine/7znt) | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | Authors: | Hughes, S.J, Casement, R, Ciulli, A. | Deposit date: | 2022-04-22 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders. Nat.Chem.Biol., 19, 2023
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5I3X
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![BU of 5i3x by Molmil](/molmil-images/mine/5i3x) | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | Descriptor: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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7DMC
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![BU of 7dmc by Molmil](/molmil-images/mine/7dmc) | Dipyridamole binds to the N-terminal domain of human Hsp90A | Descriptor: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | Authors: | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | Deposit date: | 2020-12-03 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines. Biochem Pharmacol, 207, 2022
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8A7N
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![BU of 8a7n by Molmil](/molmil-images/mine/8a7n) | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) | Descriptor: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-06-21 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) To Be Published
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6LPQ
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![BU of 6lpq by Molmil](/molmil-images/mine/6lpq) | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-malate (D-MAL) | Descriptor: | D-2-hydroxyglutarate dehydrogenase, mitochondrial, D-MALATE, ... | Authors: | Yang, J, Zhu, H, Ding, J. | Deposit date: | 2020-01-12 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations. Cell Discov, 7, 2021
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6MDO
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![BU of 6mdo by Molmil](/molmil-images/mine/6mdo) | The D1 and D2 domain rings of NSF engaging the SNAP-25 N-terminus within the 20S supercomplex (focused refinement on D1/D2 rings, class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Synaptosomal-associated protein 25, ... | Authors: | White, K.I, Zhao, M, Brunger, A.T. | Deposit date: | 2018-09-04 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF. Elife, 7, 2018
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7ZP7
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![BU of 7zp7 by Molmil](/molmil-images/mine/7zp7) | Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product | Descriptor: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C | Authors: | Hardy, F.J, Levy, C. | Deposit date: | 2022-04-26 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A designed photoenzyme for enantioselective [2+2] cycloadditions. Nature, 611, 2022
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7DL6
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![BU of 7dl6 by Molmil](/molmil-images/mine/7dl6) | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-26 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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5IQK
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![BU of 5iqk by Molmil](/molmil-images/mine/5iqk) | Rm3 metallo-beta-lactamase | Descriptor: | ZINC ION, beta-lactamase Rm3 | Authors: | Salimraj, R, Spencer, J. | Deposit date: | 2016-03-10 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study. Antimicrob.Agents Chemother., 60, 2016
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6MFT
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![BU of 6mft by Molmil](/molmil-images/mine/6mft) | Crystal structure of glycosylated 426c HIV-1 gp120 core G459C in complex with glVRC01 A60C heavy chain | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weidle, C, Pancera, M, Stamatatos, L, Gray, M. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.315 Å) | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
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7DIG
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3QXV
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