7NTN
 
 | | The structure of RRM domain of human TRMT2A at 2 A resolution | | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | | Deposit date: | 2021-03-10 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.016 Å) | | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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5Z7M
 | | SmChiA sliding-intermediate with chitohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase A, ... | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
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7NUY
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6XXW
 | | Structure of beta-D-Glucuronidase for Dictyoglomus thermophilum. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucuronidase, ... | | Authors: | Lafite, P, Daniellou, R. | | Deposit date: | 2020-01-28 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Thioglycoligation of aromatic thiols using a natural glucuronide donor.
Org.Biomol.Chem., 18, 2020
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2VU4
 | | Structure of PsbP protein from Spinacia oleracea at 1.98 A resolution | | Descriptor: | OXYGEN-EVOLVING ENHANCER PROTEIN 2, ZINC ION | | Authors: | Lapkouski, M, Ristvejova, R, Arellano, J.B, Revuelta, J.L, Kuta Smatanova, I, Ettrich, R. | | Deposit date: | 2008-05-21 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic Psbp from Spinacia Oleracea.
Plos One, 7, 2012
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5Z7N
 | | SmChiA sliding-intermediate with chitopentaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase A, ... | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
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5ZCJ
 | | Crystal structure of complex | | Descriptor: | TP53-binding protein 1, Tudor-interacting repair regulator protein | | Authors: | Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X. | | Deposit date: | 2018-02-17 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Crystal structure of complex
To Be Published
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5YXZ
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
To Be Published
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5YY1
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
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2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | Descriptor: | Aryl esterase, SULFATE ION | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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7NTO
 | | The structure of RRM domain of human TRMT2A at 1.23 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | | Deposit date: | 2021-03-10 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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5YZB
 | | Crystal Structure of Human CRMP-2 with S522D-T509D-T514D-S518D mutations crystallized with GSK3b | | Descriptor: | Dihydropyrimidinase-related protein 2 | | Authors: | Imasaki, T, Sumi, T, Aoki, M, Sakai, N, Nitta, E, Shirouzu, M, Nitta, R. | | Deposit date: | 2017-12-13 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights into the Altering Function of CRMP2 by Phosphorylation.
Cell Struct. Funct., 43, 2018
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7NUZ
 | | Proteinase K structure at atomic resolution from crystals grown in agarose gel | | Descriptor: | GLYCEROL, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R. | | Deposit date: | 2021-03-15 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Crystals, 2021
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6Z8V
 | | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3L), which contains 1-beta-D-lactopyranosyl residue in the side chain of Thy3 at N3. | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | | Deposit date: | 2020-06-02 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
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5Z5W
 | | VFR12 in complex with LPS micelles | | Descriptor: | Peptide from Prothrombin | | Authors: | Saravanan, R, Schmidtchen, A. | | Deposit date: | 2018-01-21 | | Release date: | 2018-03-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
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7P11
 | | Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand | | Descriptor: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid, CHLORIDE ION, Galectin-8, ... | | Authors: | Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. | | Deposit date: | 2021-07-01 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
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6Y0S
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E | | Descriptor: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
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6Y1C
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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6Y31
 | | NG domain of human SRP54 T117 deletion mutant | | Descriptor: | Signal recognition particle 54 kDa protein | | Authors: | Juaire, K.D, Lapouge, K, Becker, M.M.M, Kotova, I, Haas, M, Carapito, R, Wild, K, Bahram, S, Sinning, I. | | Deposit date: | 2020-02-17 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.001 Å) | | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
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2Q2M
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6Y5B
 | | 5-HT3A receptor in Salipro (apo, asymmetric) | | Descriptor: | 5-hydroxytryptamine receptor 3A | | Authors: | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-12-23 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
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2HC2
 | | Engineered protein tyrosine phosphatase beta catalytic domain | | Descriptor: | MAGNESIUM ION, Receptor-type tyrosine-protein phosphatase beta, SODIUM ION | | Authors: | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | | Deposit date: | 2006-06-15 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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7P1M
 | | Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand | | Descriptor: | 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8 | | Authors: | Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. | | Deposit date: | 2021-07-02 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
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2PPW
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6Y93
 | | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2020-03-06 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
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