6XUE
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6XUG
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6XUQ
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7NFX
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![BU of 7nfx by Molmil](/molmil-images/mine/7nfx) | Mammalian ribosome nascent chain complex with SRP and SRP receptor in early state A | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Lee, J.H, Shan, S, Ban, N. | Deposit date: | 2021-02-08 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Receptor compaction and GTPase rearrangement drive SRP-mediated cotranslational protein translocation into the ER. Sci Adv, 7, 2021
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5LDD
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5UIU
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![BU of 5uiu by Molmil](/molmil-images/mine/5uiu) | Crystal structure of IRAK4 in complex with compound 30 | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5G3U
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![BU of 5g3u by Molmil](/molmil-images/mine/5g3u) | The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with its inhibitor 2-(1H-indol-3-ylmethyl)prop-2- enoic acid | Descriptor: | 2-[(1H-indol-3-yl)methyl]prop-2-enoic acid, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Krausze, J, Rabe, J, Moser, J. | Deposit date: | 2016-05-01 | Release date: | 2016-08-03 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.377 Å) | Cite: | Biosynthesis of Violacein, Structure and Function of l-Tryptophan Oxidase VioA from Chromobacterium violaceum. J.Biol.Chem., 291, 2016
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3TH0
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![BU of 3th0 by Molmil](/molmil-images/mine/3th0) | P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide | Descriptor: | Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose | Authors: | Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2011-08-18 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers. Glycobiology, 23, 2013
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8P01
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![BU of 8p01 by Molmil](/molmil-images/mine/8p01) | Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer | Descriptor: | 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein | Authors: | Nar, H. | Deposit date: | 2023-05-09 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer. J.Med.Chem., 66, 2023
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4BJX
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![BU of 4bjx by Molmil](/molmil-images/mine/4bjx) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726) | Descriptor: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C. | Deposit date: | 2013-04-20 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models. Plos One, 8, 2013
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6Z9B
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5VO6
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6Z9D
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3Q9U
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![BU of 3q9u by Molmil](/molmil-images/mine/3q9u) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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8T0Q
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![BU of 8t0q by Molmil](/molmil-images/mine/8t0q) | Open state of lysine 5,6-aminomutase from Thermoanaerobacter tengcongensis | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, D-lysine 5,6-aminomutase alpha subunit, ... | Authors: | Tian, S, Voss, P, Pham, K, Klose, T. | Deposit date: | 2023-06-01 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Catalysis in Motion: Large-Scale Domain Shift Enables Co-C Bond Homolysis in Lysine 5,6-Aminomutase To Be Published
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8T0V
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![BU of 8t0v by Molmil](/molmil-images/mine/8t0v) | Closed state of lysine 5,6-aminomutase from Thermoanaerobacter tengcongensis | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, D-lysine 5,6-aminomutase alpha subunit, ... | Authors: | Tian, S, Voss, P, Pham, K, Klose, T. | Deposit date: | 2023-06-01 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Catalysis in Motion: Large-Scale Domain Shift Enables Co-C Bond Homolysis in Lysine 5,6-Aminomutase To Be Published
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6M8Q
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![BU of 6m8q by Molmil](/molmil-images/mine/6m8q) | Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531 | Descriptor: | Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ... | Authors: | Weihofen, W.A, Salcius, M, Michaud, G. | Deposit date: | 2018-08-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma. Nat.Chem.Biol., 16, 2020
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3Q9N
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![BU of 3q9n by Molmil](/molmil-images/mine/3q9n) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-09 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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7QGM
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7QGL
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7QGO
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![BU of 7qgo by Molmil](/molmil-images/mine/7qgo) | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Strater, N. | Deposit date: | 2021-12-09 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
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7QGA
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5GSA
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![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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8RPK
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8RPL
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![BU of 8rpl by Molmil](/molmil-images/mine/8rpl) | AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ... | Authors: | Striska, K, Palm, G.J, Lammers, M. | Deposit date: | 2024-01-16 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule. Nat Commun, 15, 2024
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