8T63
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6Q29
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5Q0I
| Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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7ZFM
| Engineered Protein Targeting the Zika Viral Envelope Fusion Loop | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop SSRN, 2022
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8GW5
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8TXS
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1Q9H
| 3-Dimensional structure of native Cel7A from Talaromyces emersonii | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, cellobiohydrolase I catalytic domain | Authors: | Grassick, A, Thompson, R, Murray, P.G, Collins, C.M, Byrnes, L, Tuohy, M.G, Birrane, G, Higgins, T.M. | Deposit date: | 2003-08-25 | Release date: | 2004-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Three-dimensional structure of a thermostable native cellobiohydrolase, CBH IB, and molecular characterization of the cel7 gene from the filamentous fungus, Talaromyces emersonii Eur.J.Biochem., 271, 2004
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5A70
| Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide | Descriptor: | CALCIUM ION, LECB, SULFATE ION, ... | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | Deposit date: | 2015-07-02 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study. Eur.J.Med.Chem., 177, 2019
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1O7A
| Human beta-Hexosaminidase B | Descriptor: | 1,2-ETHANEDIOL, 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Maier, T, Strater, N, Schuette, C, Klingenstein, R, Sandhoff, K, Saenger, W. | Deposit date: | 2002-10-29 | Release date: | 2003-10-23 | Last modified: | 2020-11-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The X-Ray Crystal Structure of Human Beta-Hexosaminidase B Provides New Insights Into Sandhoff Disease J.Mol.Biol., 328, 2003
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6DXQ
| Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate | Descriptor: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M. | Deposit date: | 2018-06-29 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6LH1
| Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter trapped in an outward-facing conformation | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Transporter, ... | Authors: | Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X. | Deposit date: | 2019-12-06 | Release date: | 2020-12-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.861 Å) | Cite: | An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter. Acta Crystallogr D Struct Biol, 77, 2021
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5M4Z
| Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | Deposit date: | 2016-10-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.179 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. Int J Mol Sci, 22, 2021
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6UY4
| Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni | Descriptor: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mori, R.M, Zapata, L.C.C, Nonato, M.C. | Deposit date: | 2019-11-11 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni. Febs J., 288, 2021
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6V7M
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7M2T
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6PT8
| Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid | Descriptor: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I. | Deposit date: | 2019-07-15 | Release date: | 2020-07-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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6PTF
| Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State | Descriptor: | UPF0284 protein MJ1598 | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2019-07-15 | Release date: | 2020-07-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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5L88
| AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ... | Authors: | Rupp, B, Naschberger, A. | Deposit date: | 2016-06-07 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling. Acta Crystallogr D Struct Biol, 72, 2016
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7O07
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8D6K
| Sco GlgEI-V279S in complex with cyclohexyl carbasugar | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | Authors: | Jayasinghe, T.J, Ronning, D.R. | Deposit date: | 2022-06-06 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative. Front Chem, 10, 2022
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6D4M
| Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG3 | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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6XPT
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6XP4
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6XPS
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4EVI
| Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine | Descriptor: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ... | Authors: | Wolters, S, Heine, A, Petersen, M. | Deposit date: | 2012-04-26 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment. Acta Crystallogr.,Sect.D, 69, 2013
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