5WD7
 
 | | Structure of a bacterial polysialyltransferase in complex with fondaparinux | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, SULFATE ION, SiaD | | Authors: | Worrall, L.J, Lizak, C, Strynadka, N.C.J. | | Deposit date: | 2017-07-04 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
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8HCT
 | | Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin | | Descriptor: | COPPER (II) ION, FE (III) ION, Ferritin, ... | | Authors: | Ming, T.H, Su, X.R, Huo, C.H. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
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5ID1
 | | Cetuximab Fab in complex with MPT-Cys meditope | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-02-23 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5WKA
 | | Crystal structure of a GH1 beta-glucosidase retrieved from microbial metagenome of Poraque Amazon lake | | Descriptor: | Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Morais, M.A.B, Toyama, D, Ramos, F.C, Zanphorlin, L.M, Tonoli, C.C.C, Miranda, F.P, Ruller, R, Henrique-Silva, F, Murakami, M.T. | | Deposit date: | 2017-07-24 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A novel beta-glucosidase isolated from the microbial metagenome of Lake Poraque (Amazon, Brazil).
Biochim. Biophys. Acta, 1866, 2018
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8H85
 | | Trans-3/4-proline-hydroxylase H11 with 3-hydroxyl-proline | | Descriptor: | 3-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8H7T
 | | Trans-3/4-proline-hydroxylase H11 apo structure | | Descriptor: | CHLORIDE ION, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8HEF
 | | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
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8H81
 | | Trans-3/4-proline-hydroxylase H11 with 4-Hydroxyl-proline | | Descriptor: | 4-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8H7V
 | | Trans-3/4-proline-hydroxylase H11 with AKG | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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5WMU
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | Deposit date: | 2017-07-31 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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8H7Y
 | | Trans-3/4-proline-hydroxylase H11 with AKG and L-proline | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ... | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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5WJI
 | | Crystal structure of the F61S mutant of HsNUDT16 | | Descriptor: | ACETIC ACID, CHLORIDE ION, SULFATE ION, ... | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-07-23 | | Release date: | 2018-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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5WNL
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5WMX
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M. | | Deposit date: | 2017-07-31 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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8H17
 | | Crystal structure of the Globin domain of Thermosynechococcus elongatus BP-1 | | Descriptor: | IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Tlr1989 protein | | Authors: | Mathur, S, Yadav, S.K, Pal, K.R, Kundu, S. | | Deposit date: | 2022-09-30 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A novel single sensor hemoglobin domain from the thermophilic cyanobacteria Thermosynechococcus elongatus BP-1 exhibits higher pH but lower thermal stability compared to globins from mesophilic organisms.
Int.J.Biol.Macromol., 240, 2023
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5WQ3
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5WQJ
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2RJI
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5WQU
 | | Crystal structure of Sweet Potato Beta-Amylase complexed with Maltotetraose | | Descriptor: | Beta-amylase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Vajravijayan, S, Sergei, P, Nandhagopal, N, Gunasekaran, K. | | Deposit date: | 2016-11-28 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural insights on starch hydrolysis by plant beta-amylase and its evolutionary relationship with bacterial enzymes
Int. J. Biol. Macromol., 113, 2018
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5WYZ
 | | Crystal structure of human TLR8 in complex with CU-CPT9b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2017-01-16 | | Release date: | 2017-12-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
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2RDS
 | | Crystal Structure of PtlH with Fe/oxalylglycine and ent-1-deoxypentalenic acid bound | | Descriptor: | (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid, 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, FE (III) ION, ... | | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | | Deposit date: | 2007-09-24 | | Release date: | 2007-10-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis.
J.Biol.Chem., 282, 2007
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5X1W
 | | PKM2 in complex with compound 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2017-01-27 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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8HJE
 | | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
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5WBI
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8HAP
 | | Crystal structure of thermostable acetaldehyde dehydrogenase from hyperthermophilic archaeon Sulfolobus tokodaii | | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, SODIUM ION, ... | | Authors: | Mine, S, Nakabayashi, M, Ishikawa, K. | | Deposit date: | 2022-10-26 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of thermostable acetaldehyde dehydrogenase from the hyperthermophilic archaeon Sulfolobus tokodaii.
Acta Crystallogr.,Sect.F, 79, 2023
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