6W47
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![BU of 6w47 by Molmil](/molmil-images/mine/6w47) | Peptoid-Containing Collagen Peptide | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | Authors: | Chenoweth, D.M, Melton, S.D. | Deposit date: | 2020-03-10 | Release date: | 2020-08-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides. Chem Sci, 11, 2020
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8RTY
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![BU of 8rty by Molmil](/molmil-images/mine/8rty) | Structure of the F-actin barbed end bound by Cdc12 and profilin (ring complex) at a resolution of 6.3 Angstrom | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | Deposit date: | 2024-01-29 | Release date: | 2024-04-10 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (6.25 Å) | Cite: | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
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6W7V
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![BU of 6w7v by Molmil](/molmil-images/mine/6w7v) | Structure of rabbit actin in complex with truncated analog of Mycalolide B | Descriptor: | (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Allingham, J.S, Deng, X, Trofimova, D. | Deposit date: | 2020-03-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix. J.Am.Chem.Soc., 143, 2021
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7OI1
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6VHY
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![BU of 6vhy by Molmil](/molmil-images/mine/6vhy) | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | Descriptor: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | Authors: | Kreitler, D.F, Gulick, A.M. | Deposit date: | 2020-01-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca. Acs Infect Dis., 6, 2020
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6W2P
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![BU of 6w2p by Molmil](/molmil-images/mine/6w2p) | APE1 endonuclease product complex L104R | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6W3L
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![BU of 6w3l by Molmil](/molmil-images/mine/6w3l) | APE1 exonuclease substrate complex wild-type | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-09 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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3KK6
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![BU of 3kk6 by Molmil](/molmil-images/mine/3kk6) | Crystal Structure of Cyclooxygenase-1 in complex with celecoxib | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ... | Authors: | Sidhu, R.S. | Deposit date: | 2009-11-04 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1. Proc.Natl.Acad.Sci.USA, 107, 2010
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1H8C
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![BU of 1h8c by Molmil](/molmil-images/mine/1h8c) | UBX domain from human faf1 | Descriptor: | FAS-ASSOCIATED FACTOR 1 | Authors: | Bycroft, M.M. | Deposit date: | 2001-02-01 | Release date: | 2001-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Ubx Domain: A Widespread Ubiquitin-Like Module J.Mol.Biol., 307, 2001
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6W06
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![BU of 6w06 by Molmil](/molmil-images/mine/6w06) | Bruton's tyrosine kinase in complex with compound 6 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2020-02-29 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J.Med.Chem., 63, 2020
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6W0Q
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![BU of 6w0q by Molmil](/molmil-images/mine/6w0q) | APE1 endonuclease product complex D148E | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-02 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6LXD
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![BU of 6lxd by Molmil](/molmil-images/mine/6lxd) | Pri-miRNA bound DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, RNA (102-mer), Ribonuclease 3, ... | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
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7P2C
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![BU of 7p2c by Molmil](/molmil-images/mine/7p2c) | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G. | Deposit date: | 2021-07-05 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex. Iucrj, 9, 2022
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6W07
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![BU of 6w07 by Molmil](/molmil-images/mine/6w07) | Bruton's tyrosine kinase in complex with compound 1 | Descriptor: | DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK, ~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2020-02-29 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J.Med.Chem., 63, 2020
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6LZI
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![BU of 6lzi by Molmil](/molmil-images/mine/6lzi) | Aquifex aeolicus MutL ATPase domain complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, ... | Authors: | Fukui, K, Izuhara, K, Yano, T. | Deposit date: | 2020-02-19 | Release date: | 2020-07-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69105685 Å) | Cite: | A Lynch syndrome-associated mutation at a Bergerat ATP-binding fold destabilizes the structure of the DNA mismatch repair endonuclease MutL. J.Biol.Chem., 295, 2020
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6W3N
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![BU of 6w3n by Molmil](/molmil-images/mine/6w3n) | APE1 exonuclease substrate complex D148E | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-09 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6NE0
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![BU of 6ne0 by Molmil](/molmil-images/mine/6ne0) | Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14) | Descriptor: | CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ... | Authors: | Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C. | Deposit date: | 2018-12-15 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry. Mol. Cell, 74, 2019
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6VYA
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![BU of 6vya by Molmil](/molmil-images/mine/6vya) | Crystal structure of NotF in complex with brevianamide F and DMSPP | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF | Authors: | Dan, Q, Smith, J.L. | Deposit date: | 2020-02-25 | Release date: | 2021-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A. J.Am.Chem.Soc., 144, 2022
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6VHW
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![BU of 6vhw by Molmil](/molmil-images/mine/6vhw) | Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxybenzoyl-AMSN | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine, BROMIDE ION, ... | Authors: | Kreitler, D.F, Gulick, A.M. | Deposit date: | 2020-01-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca. Acs Infect Dis., 6, 2020
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6LXE
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![BU of 6lxe by Molmil](/molmil-images/mine/6lxe) | DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, Ribonuclease 3, ZINC ION | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
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6VK4
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![BU of 6vk4 by Molmil](/molmil-images/mine/6vk4) | Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (II) ION, ... | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
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6VKZ
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![BU of 6vkz by Molmil](/molmil-images/mine/6vkz) | |
6WG3
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![BU of 6wg3 by Molmil](/molmil-images/mine/6wg3) | Cryo-EM structure of human Cohesin-NIPBL-DNA complex | Descriptor: | Cohesin subunit SA-1, DNA (51-MER), Double-strand-break repair protein rad21 homolog, ... | Authors: | Shi, Z.B, Gao, H, Bai, X.C, Yu, H. | Deposit date: | 2020-04-04 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Cryo-EM structure of the human cohesin-NIPBL-DNA complex. Science, 368, 2020
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6WUG
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![BU of 6wug by Molmil](/molmil-images/mine/6wug) | |
6X5E
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![BU of 6x5e by Molmil](/molmil-images/mine/6x5e) | Crystal structure of a Lewis-binding Fab (ch88.2) | Descriptor: | NICKEL (II) ION, ch88.2 Fab heavy chain, ch88.2 Fab light chain | Authors: | Soliman, C, Ramsland, P.A. | Deposit date: | 2020-05-26 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Molecular and structural basis for Lewis glycan recognition by a cancer-targeting antibody. Biochem.J., 477, 2020
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