7L37
| T4 Lysozyme L99A - Apo - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6TEU
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+ | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F. | Deposit date: | 2019-11-12 | Release date: | 2021-05-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity Int J Mol Sci, 2023
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7L3H
| T4 Lysozyme L99A - ethylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6TGW
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5LV4
| Crystal structure of mouse PRMT6 in complex with inhibitor LH1236 | Descriptor: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, Protein arginine N-methyltransferase 6 | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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6TEZ
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucuronic Acid | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F. | Deposit date: | 2019-11-12 | Release date: | 2021-05-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity Int J Mol Sci, 2023
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6B11
| TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) | Descriptor: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside, 1,2-ETHANEDIOL, 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase, ... | Authors: | DeMars, M.D, Sherman, D.H, Podust, L.M. | Deposit date: | 2017-09-15 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) To Be Published
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6TEX
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucose | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F. | Deposit date: | 2019-11-12 | Release date: | 2021-05-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity Int J Mol Sci, 2023
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5LC5
| Structure of mammalian respiratory Complex I, class2 | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Vinothkumar, K.R, Zhu, J, Hirst, J. | Deposit date: | 2016-06-19 | Release date: | 2016-09-07 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.35 Å) | Cite: | Structure of mammalian respiratory complex I. Nature, 536, 2016
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7L3K
| T4 Lysozyme L99A - benzylacetate - cryo | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3C
| T4 Lysozyme L99A - o-xylene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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5LI7
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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7L3D
| T4 Lysozyme L99A - 3-iodotoluene - RT | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6LK2
| Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid | Descriptor: | (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 3-dehydroquinate synthase, ... | Authors: | Neetu, N, Katiki, M, Kumar, P. | Deposit date: | 2019-12-17 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. J.Bacteriol., 202, 2020
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7L3I
| T4 Lysozyme L99A - propylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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8A64
| cryoEM structure of the catalytically inactive EndoS from S. pyogenes in complex with the Fc region of immunoglobulin G1. | Descriptor: | Endo-beta-N-acetylglucosaminidase F2, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Cifuente, J.O, Du, J.J, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2022-06-16 | Release date: | 2023-04-05 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Mechanism of antibody-specific deglycosylation and immune evasion by Streptococcal IgG-specific endoglycosidases. Nat Commun, 14, 2023
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3NYJ
| Crystal Structure Analysis of APP E2 domain | Descriptor: | Amyloid beta A4 protein, OSMIUM ION | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X. | Deposit date: | 2010-07-15 | Release date: | 2011-06-01 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization. Biochemistry, 50, 2011
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5LK1
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8CZI
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7L4X
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3NXR
| Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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7L4Y
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7ZVE
| K403 acetylated glucose-6-phosphate dehydrogenase (G6PD) | Descriptor: | COPPER (II) ION, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase | Authors: | Wu, F, Muskat, N.H, Shahar, A, Arbely, E. | Deposit date: | 2022-05-15 | Release date: | 2023-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylation-dependent coupling between G6PD activity and apoptotic signaling. Nat Commun, 14, 2023
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5LJF
| Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose | Descriptor: | Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Dutoit, R, Collet, L, Galleni, M, Bauvois, C. | Deposit date: | 2016-07-18 | Release date: | 2017-08-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.734396 Å) | Cite: | Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis. Acta Crystallogr D Struct Biol, 77, 2021
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7ZVD
| K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+ | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wu, F, Muskat, N.H, Nudelman, H, Shahar, A, Arbely, E. | Deposit date: | 2022-05-15 | Release date: | 2023-08-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Acetylation-dependent coupling between G6PD activity and apoptotic signaling. Nat Commun, 14, 2023
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