8YIF
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![BU of 8yif by Molmil](/molmil-images/mine/8yif) | Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarviosin | Descriptor: | Acarviosin, Alpha-glucosidase | Authors: | Saburi, W, Tagami, T, Yu, J, Ose, T, Yao, M, Mori, H. | Deposit date: | 2024-02-29 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular mechanism for the substrate specificity of Arthrobacter globiformis M6 alpha-glucosidase CmmB, belonging to glycoside hydrolase family 13 subfamily 30 Food Biosci, 61, 2024
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5ZNF
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8XT3
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![BU of 8xt3 by Molmil](/molmil-images/mine/8xt3) | Cryo-EM structure of the human 39S mitoribosome with 10uM Tigecycline | Descriptor: | 16s rRNA, 39S ribosomal protein L22, mitochondrial, ... | Authors: | Li, X, Wang, M, Cheng, J. | Deposit date: | 2024-01-10 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline. Nat Commun, 15, 2024
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8U7Y
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8U86
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![BU of 8u86 by Molmil](/molmil-images/mine/8u86) | |
6OZ4
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8U87
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8U85
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![BU of 8u85 by Molmil](/molmil-images/mine/8u85) | Structural Basis of Human NOX5 Activation | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cui, C, Jiang, M, Sun, J. | Deposit date: | 2023-09-15 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis of Human NOX5 Activation To Be Published
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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7ULK
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![BU of 7ulk by Molmil](/molmil-images/mine/7ulk) | Human TRAP1 NM in complex with 42C | Descriptor: | CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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6A2S
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![BU of 6a2s by Molmil](/molmil-images/mine/6a2s) | Mycobacterium tuberculosis LexA C-domain S160A | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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8RJY
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![BU of 8rjy by Molmil](/molmil-images/mine/8rjy) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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6RY7
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8VE0
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![BU of 8ve0 by Molmil](/molmil-images/mine/8ve0) | Human transthyretin covalently modified with A2-derived stilbene in the compressed conformation | Descriptor: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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7ULJ
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![BU of 7ulj by Molmil](/molmil-images/mine/7ulj) | Hsp90b N-terminal domain in complex with 42C | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7UOD
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![BU of 7uod by Molmil](/molmil-images/mine/7uod) | Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M. | Deposit date: | 2022-04-12 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of Canavalia maritima lectin complexed with auxins To Be Published
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7ULL
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![BU of 7ull by Molmil](/molmil-images/mine/7ull) | Human Grp94 N-terminal domain in complex with 42C | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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8VPW
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![BU of 8vpw by Molmil](/molmil-images/mine/8vpw) | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2024-01-17 | Release date: | 2024-02-21 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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8RJV
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![BU of 8rjv by Molmil](/molmil-images/mine/8rjv) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-21 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8WDU
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![BU of 8wdu by Molmil](/molmil-images/mine/8wdu) | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by sucrose density | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | Deposit date: | 2023-09-16 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum. Commun Biol, 7, 2024
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6QGW
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![BU of 6qgw by Molmil](/molmil-images/mine/6qgw) | Crystal structure of E.coli BamA beta-barrel in complex with nanobody E6 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoE6, Outer membrane protein assembly factor BamA | Authors: | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | Deposit date: | 2019-01-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach. J.Biomol.Nmr, 73, 2019
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8VQ1
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![BU of 8vq1 by Molmil](/molmil-images/mine/8vq1) | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2024-01-17 | Release date: | 2024-02-21 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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8XSY
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![BU of 8xsy by Molmil](/molmil-images/mine/8xsy) | Cryo-EM structure of the human 80S ribosome with Tigecycline, e-tRNA and CCDC124 (40S head Swivelled) | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Li, X, Wang, M, Cheng, J. | Deposit date: | 2024-01-10 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline. Nat Commun, 15, 2024
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8YTD
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![BU of 8ytd by Molmil](/molmil-images/mine/8ytd) | Crystal Structure of TrkA D5 domain in complex with two different macrocyclic peptides | Descriptor: | 1,2-ETHANEDIOL, High affinity nerve growth factor receptor, Macrocyclic Peptide | Authors: | Yamada, T, Mihara, K, Ueda, T, Yamauchi, D, Shimizu, M, Ando, A, Mayumi, K, Nakata, Z, Mikamiyama, H. | Deposit date: | 2024-03-25 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery and Hit to Lead Optimization of Macrocyclic Peptides as Novel Tropomyosin Receptor Kinase A Antagonists. J.Med.Chem., 67, 2024
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7A46
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![BU of 7a46 by Molmil](/molmil-images/mine/7a46) | small conductance mechanosensitive channel YbiO | Descriptor: | Putative transport protein | Authors: | Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B. | Deposit date: | 2020-08-19 | Release date: | 2020-11-18 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The MscS-like channel YnaI has a gating mechanism based on flexible pore helices. Proc.Natl.Acad.Sci.USA, 117, 2020
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