7CD9
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![BU of 7cd9 by Molmil](/molmil-images/mine/7cd9) | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | Authors: | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | Deposit date: | 2020-06-19 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CJT
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![BU of 7cjt by Molmil](/molmil-images/mine/7cjt) | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | Descriptor: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S. | Deposit date: | 2020-07-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.474 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7ELY
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![BU of 7ely by Molmil](/molmil-images/mine/7ely) | |
7DAD
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![BU of 7dad by Molmil](/molmil-images/mine/7dad) | EPD in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y, Wu, C. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7XGD
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![BU of 7xgd by Molmil](/molmil-images/mine/7xgd) | Cryo-EM structure of Apo-IGF1R map 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor 1 receptor | Authors: | Zhang, X, Wu, C. | Deposit date: | 2022-04-04 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structure of Apo-IGF1R To Be Published
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7YIM
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![BU of 7yim by Molmil](/molmil-images/mine/7yim) | Cryo-EM structure of human Alpha-fetoprotein | Descriptor: | Alpha-fetoprotein | Authors: | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | Deposit date: | 2022-07-17 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM. Nat.Methods, 20, 2023
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5VAP
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![BU of 5vap by Molmil](/molmil-images/mine/5vap) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | Minor nucleoprotein VP30, NP | Authors: | XU, W, WU, C, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
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7B1R
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![BU of 7b1r by Molmil](/molmil-images/mine/7b1r) | |
3J08
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![BU of 3j08 by Molmil](/molmil-images/mine/3j08) | |
3J09
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![BU of 3j09 by Molmil](/molmil-images/mine/3j09) | |
5W0X
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![BU of 5w0x by Molmil](/molmil-images/mine/5w0x) | Crystal structure of mouse TOR signaling pathway regulator-like (TIPRL) delta 94-103 | Descriptor: | TIP41-like protein | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-01-17 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.717 Å) | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes. Nat Commun, 8, 2017
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5W0W
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![BU of 5w0w by Molmil](/molmil-images/mine/5w0w) | Crystal structure of Protein Phosphatase 2A bound to TIPRL | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, ... | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-01-17 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes. Nat Commun, 8, 2017
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7CR6
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![BU of 7cr6 by Molmil](/molmil-images/mine/7cr6) | Synechocystis Cas1-Cas2/prespacer binary complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER) | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2020-08-12 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis. Nucleic Acids Res., 49, 2021
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7CR8
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![BU of 7cr8 by Molmil](/molmil-images/mine/7cr8) | Synechocystis Cas1-Cas2-prespacerL complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER) | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2020-08-12 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis. Nucleic Acids Res., 49, 2021
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7YRN
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![BU of 7yrn by Molmil](/molmil-images/mine/7yrn) | |
9ERY
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![BU of 9ery by Molmil](/molmil-images/mine/9ery) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | Authors: | Plewka, J, Magiera-Mularz, K, Zhang, W. | Deposit date: | 2024-03-25 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-L1 inhibitors Eur.J.Med.Chem., 2024
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5UTT
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![BU of 5utt by Molmil](/molmil-images/mine/5utt) | SrtA sortase from Actinomyces oris | Descriptor: | CHLORIDE ION, Sortase | Authors: | Osipiuk, J, Ma, X, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-15 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cell-to-cell interaction requires optimal positioning of a pilus tip adhesin modulated by gram-positive transpeptidase enzymes. Proc.Natl.Acad.Sci.USA, 116, 2019
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7PFP
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![BU of 7pfp by Molmil](/molmil-images/mine/7pfp) | Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | Deposit date: | 2021-08-11 | Release date: | 2022-03-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7Q3N
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![BU of 7q3n by Molmil](/molmil-images/mine/7q3n) | Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ... | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | Deposit date: | 2021-10-28 | Release date: | 2022-03-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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5VAO
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![BU of 5vao by Molmil](/molmil-images/mine/5vao) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | XU, W, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
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7P6S
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![BU of 7p6s by Molmil](/molmil-images/mine/7p6s) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6T
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![BU of 7p6t by Molmil](/molmil-images/mine/7p6t) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6R
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![BU of 7p6r by Molmil](/molmil-images/mine/7p6r) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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6IWI
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![BU of 6iwi by Molmil](/molmil-images/mine/6iwi) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J.Med.Chem., 62, 2019
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6J8R
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![BU of 6j8r by Molmil](/molmil-images/mine/6j8r) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.575 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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