6HGB
 
 | | Influenza A virus N6 neuraminidase native structure (Duck/England/56). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-23 | | Release date: | 2018-09-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6Z3V
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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6GOB
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | Descriptor: | CHLORIDE ION, Lysozyme C, N,N-pyridylbenzimidazole derivative-Pd complex, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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6GOJ
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated triphenylphosphonium cation | | Descriptor: | CHLORIDE ION, Lysozyme C, NITRATE ION, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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6ZHZ
 | | OleP-oleandolide(DEO) in high salt crystallization conditions | | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ... | | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C. | | Deposit date: | 2020-06-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
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6GQZ
 | | Petrobactin-binding engineered lipocalin without ligand | | Descriptor: | Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A. | | Deposit date: | 2018-06-08 | | Release date: | 2018-08-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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6ZMX
 | | Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in orthorhombic form at 1.4 Angstrom resolution | | Descriptor: | Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pandian, R, Shobana, N, Sundaresan, S.S, Sayed, Y, Ponnuswamy, M.N. | | Deposit date: | 2020-07-04 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.389 Å) | | Cite: | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties.
Acta Crystallogr D Struct Biol, 77, 2021
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7CVJ
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7CRZ
 | | Crystal structure of human glucose transporter GLUT3 bound with C3361 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | | Authors: | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7A22
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7A4B
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7CVL
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBB
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TNG
 | | Kringle domain of human Receptor Tyrosine Kinase-Like Orphan Receptor 1 (ROR1) | | Descriptor: | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | | Authors: | Guarino, S.R, Di Bello, A, Palamini, M, Forneris, F. | | Deposit date: | 2022-01-21 | | Release date: | 2022-05-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (hROR1)
Acta Crystallogr.,Sect.F, 78, 2022
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6H1Y
 | | CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI | | Descriptor: | Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1 | | Authors: | Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Loop size optimization induces a strong thermal stabilization of the thioredoxin fold.
Febs J., 286, 2019
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7CDM
 | | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (4500 images from 2nd half of data set) | | Descriptor: | Lysozyme C, MALONATE ION, SODIUM ION | | Authors: | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2020-06-20 | | Release date: | 2021-03-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method.
Acta Crystallogr.,Sect.D, 77, 2021
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7CDN
 | | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (9000 images) | | Descriptor: | Lysozyme C, MALONATE ION, SODIUM ION | | Authors: | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2020-06-20 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method.
Acta Crystallogr.,Sect.D, 77, 2021
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7CDP
 | | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (3000 images) | | Descriptor: | Lysozyme C, MALONATE ION, SODIUM ION | | Authors: | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2020-06-20 | | Release date: | 2021-03-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method.
Acta Crystallogr.,Sect.D, 77, 2021
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7CDQ
 | | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 83 kGy (3000 images) | | Descriptor: | Lysozyme C, MALONATE ION, SODIUM ION | | Authors: | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2020-06-20 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method.
Acta Crystallogr.,Sect.D, 77, 2021
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7C3G
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | Deposit date: | 2020-05-12 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
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6XVR
 | | Human myelin protein P2 mutant L35S | | Descriptor: | Myelin P2 protein, PALMITIC ACID, SULFATE ION | | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | | Deposit date: | 2020-01-22 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
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7CDR
 | | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 210 kGy (3000 images) | | Descriptor: | Lysozyme C, MALONATE ION, SODIUM ION | | Authors: | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2020-06-20 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method.
Acta Crystallogr.,Sect.D, 77, 2021
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