6XKG
 
 | | Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ... | | Authors: | Pedersen, L.C, Liu, J, Wander, R. | | Deposit date: | 2020-06-26 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
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6XL8
 | | Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ... | | Authors: | Pedersen, L.C, Liu, J, Wander, R. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
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6XFQ
 | | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor | | Descriptor: | Platelet glycoprotein Ib alpha chain, Snaclec agglucetin subunit alpha-1, Snaclec agglucetin subunit beta-2 | | Authors: | Wang, J, Gao, Y.X, Ke, J.Y, Zhu, Z.L, Niu, L.W. | | Deposit date: | 2020-06-16 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor
To be published
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7Q5D
 | | Structure of EPCR in a non-canonical conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | | Authors: | Lopez-Sagaseta, J, Erausquin, E. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of EPCR in a non-canonical conformation
Biorxiv, 2021
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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6D9H
 | | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A. | | Deposit date: | 2018-04-29 | | Release date: | 2018-06-20 | | Last modified: | 2018-07-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the adenosine-bound human adenosine A1receptor-Gicomplex.
Nature, 558, 2018
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7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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5C5X
 | | CRYSTAL STRUCTURE OF THE S156E MUTANT OF HUMAN AQUAPORIN 5 | | Descriptor: | Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine | | Authors: | Kitchen, P, Oeberg, F, Sjoehamn, J, Hedfalk, K, Bill, R.M, Conner, A.C, Conner, M.T, Toernroth-Horsefield, S. | | Deposit date: | 2015-06-22 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways.
Plos One, 10, 2015
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7PSX
 | | Structure of HOXB13 bound to hydroxymethylated DNA | | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... | | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | | Deposit date: | 2021-09-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
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6XLZ
 | | Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ... | | Authors: | Aljedani, S, Rodarte, J, Liban, T, Pancera, M. | | Deposit date: | 2020-06-29 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6XCO
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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6XC9
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Tresoldi, M.C.E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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8I80
 | | Crystal structure of Cph001-D189N | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J. | | Deposit date: | 2023-02-02 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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8I86
 | | Crystal structure of Cph001-D189N in complex with GTP | | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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4LPH
 | | Crystal structure of human FPPS in complex with CL03093 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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6XCP
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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8I84
 | | Crystal structure of Cph001-D189N in complex with CMN IIB | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, KBE-DPP-UAL-MYN-DPP-ALA, ... | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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8I85
 | | Crystal structure of Cph001-D189N in complex with ATP | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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7Q3O
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2RVC
 | | Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase | | Descriptor: | Interferon-inducible and double-stranded-dependent eIF-2kinase | | Authors: | Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J. | | Deposit date: | 2015-07-08 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
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7Z9T
 | | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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8I89
 | | Crystal structure of Cph001-D189N in complex with VIO | | Descriptor: | DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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6XU6
 | | Drosophila melanogaster Testis 80S ribosome | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 2S ribosomal RNA, ... | | Authors: | Hopes, T, Agapiou, M, Norris, K, McCarthy, C.G.P, OConnell, M.J, Fontana, J, Aspden, J.L. | | Deposit date: | 2020-01-17 | | Release date: | 2021-07-28 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Ribosome heterogeneity in Drosophila melanogaster gonads through paralog-switching.
Nucleic Acids Res., 50, 2022
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2TMG
 | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S, Lebbink, J.H.G, van der Oost, J, de Vos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.
J.Mol.Biol., 289, 1999
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