5WD7
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![BU of 5wd7 by Molmil](/molmil-images/mine/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
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![BU of 8hct by Molmil](/molmil-images/mine/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
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![BU of 5id1 by Molmil](/molmil-images/mine/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
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![BU of 5wka by Molmil](/molmil-images/mine/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
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![BU of 8h85 by Molmil](/molmil-images/mine/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
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![BU of 8h7t by Molmil](/molmil-images/mine/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
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![BU of 8hef by Molmil](/molmil-images/mine/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
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![BU of 8h81 by Molmil](/molmil-images/mine/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
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![BU of 8h7v by Molmil](/molmil-images/mine/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
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![BU of 5wmu by Molmil](/molmil-images/mine/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
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![BU of 8h7y by Molmil](/molmil-images/mine/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
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![BU of 5wji by Molmil](/molmil-images/mine/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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![BU of 5wnl by Molmil](/molmil-images/mine/5wnl) | |
5WMX
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![BU of 5wmx by Molmil](/molmil-images/mine/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
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![BU of 8h17 by Molmil](/molmil-images/mine/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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![BU of 5wq3 by Molmil](/molmil-images/mine/5wq3) | |
5WQJ
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![BU of 5wqj by Molmil](/molmil-images/mine/5wqj) | |
2RJI
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5WQU
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![BU of 5wqu by Molmil](/molmil-images/mine/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
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![BU of 5wyz by Molmil](/molmil-images/mine/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
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![BU of 2rds by Molmil](/molmil-images/mine/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
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![BU of 5x1w by Molmil](/molmil-images/mine/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
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![BU of 8hje by Molmil](/molmil-images/mine/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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![BU of 5wbi by Molmil](/molmil-images/mine/5wbi) | |
8HAP
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![BU of 8hap by Molmil](/molmil-images/mine/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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