7V6J
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![BU of 7v6j by Molmil](/molmil-images/mine/7v6j) | LcCOMT in complex with SAM | Descriptor: | LcCOMT, S-ADENOSYLMETHIONINE, SODIUM ION | Authors: | Yu, Y, CHen, Q. | Deposit date: | 2021-08-20 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism. Int.J.Biol.Macromol., 194, 2022
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4L37
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![BU of 4l37 by Molmil](/molmil-images/mine/4l37) | SP2-SP3 - a complex of two storage proteins from Bombyx mori hemolymph | Descriptor: | Arylphorin, SODIUM ION, SULFATE ION, ... | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | Deposit date: | 2013-06-05 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic identification of an unexpected protein complex in silkworm haemolymph. Acta Crystallogr.,Sect.D, 69, 2013
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7VGP
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7VGO
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![BU of 7vgo by Molmil](/molmil-images/mine/7vgo) | Hen egg lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Oda, M, Ikura, T, Ito, N. | Deposit date: | 2021-09-17 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Analysis of Hen Egg Lysozyme Refolded after Denaturation at Acidic pH. Protein J., 41, 2022
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7K4O
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![BU of 7k4o by Molmil](/molmil-images/mine/7k4o) | Tannin acyl hydrolase from Aspergillus niger | Descriptor: | 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ren, B. | Deposit date: | 2020-09-15 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of fungal tannase from Aspergillus niger. Acta Crystallogr D Struct Biol, 77, 2021
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4LSS
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![BU of 4lss by Molmil](/molmil-images/mine/4lss) | Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2013-07-23 | Release date: | 2013-08-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies. Immunity, 39, 2013
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6EO7
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![BU of 6eo7 by Molmil](/molmil-images/mine/6eo7) | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, ... | Authors: | Dolot, R.M, Nawrot, B, Yang, X. | Deposit date: | 2017-10-09 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity. Nucleic Acids Res., 46, 2018
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7VJ2
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![BU of 7vj2 by Molmil](/molmil-images/mine/7vj2) | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (125 us time-point) | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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4LZ1
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![BU of 4lz1 by Molmil](/molmil-images/mine/4lz1) | X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 12 nucleobase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | Deposit date: | 2013-07-31 | Release date: | 2014-01-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer. Febs J., 280, 2013
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7JLN
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6E7W
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7JXF
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![BU of 7jxf by Molmil](/molmil-images/mine/7jxf) | E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog | Descriptor: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ... | Authors: | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K. | Deposit date: | 2020-08-27 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog. Biochemistry, 60, 2021
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6EKU
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![BU of 6eku by Molmil](/molmil-images/mine/6eku) | Vibrio cholerae neuraminidase complexed with zanamivir | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schuetz, A, Heinemann, U. | Deposit date: | 2017-09-27 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay. Molecules, 22, 2017
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6E57
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![BU of 6e57 by Molmil](/molmil-images/mine/6e57) | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | Authors: | Koropatkin, N.M, Schnizlein, M, Bahr, C.M.E. | Deposit date: | 2018-07-19 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus. Cell.Mol.Life Sci., 76, 2019
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7JUA
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7VKB
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![BU of 7vkb by Molmil](/molmil-images/mine/7vkb) | Crystal structure of the a bacterial kinase complex | Descriptor: | DI(HYDROXYETHYL)ETHER, HipA (Persistence to inhibition of murein or DNA biosynthesis), HipA_C domain-containing protein, ... | Authors: | Zhen, X, Ouyang, S.Y. | Deposit date: | 2021-09-29 | Release date: | 2022-06-29 | Last modified: | 2022-08-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila. Nat Commun, 13, 2022
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7JTJ
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7JTO
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![BU of 7jto by Molmil](/molmil-images/mine/7jto) | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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6E7S
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7JXA
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![BU of 7jxa by Molmil](/molmil-images/mine/7jxa) | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE | Descriptor: | 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ... | Authors: | Sander, C.L, Palczewski, K, Kiser, P.D. | Deposit date: | 2020-08-26 | Release date: | 2021-10-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols. Structure, 30, 2022
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7V8O
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![BU of 7v8o by Molmil](/molmil-images/mine/7v8o) | Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221 | Descriptor: | 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T, Li, G.Y, Yin, H. | Deposit date: | 2021-08-23 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates. Acs Catalysis, 12, 2022
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7VC3
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![BU of 7vc3 by Molmil](/molmil-images/mine/7vc3) | Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution | Descriptor: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CHLORIDE ION, ETHANOLAMINE, ... | Authors: | Malhotra, N, Yogavel, M, Sharma, A. | Deposit date: | 2021-09-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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7K5V
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![BU of 7k5v by Molmil](/molmil-images/mine/7k5v) | OXA-48 bound by Compound 3.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-09-17 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7VWP
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![BU of 7vwp by Molmil](/molmil-images/mine/7vwp) | Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ... | Authors: | Zhang, Y, Yang, C, Zhang, L, Zhang, C. | Deposit date: | 2021-11-11 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation Nat Commun, 13, 2022
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4LOR
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![BU of 4lor by Molmil](/molmil-images/mine/4lor) | C1s CUB1-EGF-CUB2 in complex with a collagen-like peptide from C1q | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1s subcomponent heavy chain, ... | Authors: | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | Deposit date: | 2013-07-13 | Release date: | 2013-08-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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