4QDP
 
 | | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose | | Descriptor: | CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2014-05-14 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
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4QEH
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4QE1
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6X3K
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6X3Q
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7JT9
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7KMJ
 | | Hsa Siglec and Unique domains in complex with Sialyl Lewis C | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin | | Authors: | Stubbs, H.E, Iverson, T.M. | | Deposit date: | 2020-11-03 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
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5C8I
 | | Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | | Descriptor: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | | Authors: | Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. | | Deposit date: | 2015-06-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION | | Cite: | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
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5E5K
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | | Authors: | Kovalevsky, A.Y, Das, A. | | Deposit date: | 2015-10-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION | | Cite: | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5E5J
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Kovalevsky, A.Y, Gerlits, O.O. | | Deposit date: | 2015-10-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4HYA
 | | HYALURONIC ACID, THE ROLE OF DIVALENT CATIONS IN CONFORMATION AND PACKING | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid, CALCIUM ION | | Authors: | Arnott, S. | | Deposit date: | 1977-11-20 | | Release date: | 1980-03-28 | | Last modified: | 2024-02-28 | | Method: | FIBER DIFFRACTION (3 Å) | | Cite: | Hyaluronic acid: the role of divalent cations in conformation and packing.
J.Mol.Biol., 117, 1977
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1HYA
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1C4S
 | | CHONDROITIN-4-SULFATE. THE STRUCTURE OF A SULFATED GLYCOSAMINOGLYCAN | | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-4-deoxy-beta-D-glucopyranuronic acid, SODIUM ION | | Authors: | Arnott, S. | | Deposit date: | 1978-05-23 | | Release date: | 1980-03-28 | | Last modified: | 2024-02-07 | | Method: | FIBER DIFFRACTION (3 Å) | | Cite: | Chondroitin 4-sulfate: the structure of a sulfated glycosaminoglycan.
J.Mol.Biol., 125, 1978
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1CAP
 | | CONFORMATION AND MOLECULAR ORGANIZATION IN FIBERS OF THE CAPSULAR POLYSACCHARIDE FROM ESCHERICHIA COLI M41 MUTANT | | Descriptor: | alpha-D-mannopyranose-(1-3)-beta-D-glucopyranose-(1-3)-[4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-4)]beta-D-glucopyranuronic acid-(1-3)-beta-D-galactopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-glucopyranose-(1-3)-[4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-4)]beta-D-glucopyranuronic acid-(1-3)-beta-D-galactopyranose | | Authors: | Arnott, S. | | Deposit date: | 1978-05-23 | | Release date: | 1980-03-28 | | Last modified: | 2024-02-07 | | Method: | FIBER DIFFRACTION (3 Å) | | Cite: | Conformation and molecular organization in fibers of the capsular polysaccharide from Escherichia coli M41 mutant.
J.Mol.Biol., 109, 1977
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2C4S
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