2JJJ
| Endothiapepsin in complex with a gem-diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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2JJI
| Endothiapepsin in complex with a gem-diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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5ZO0
| Neutron structure of xylanase at pD5.4 | Descriptor: | Endo-1,4-beta-xylanase 2 | Authors: | Wan, Q, Li, Z.H. | Deposit date: | 2018-04-12 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | NEUTRON DIFFRACTION (1.648 Å) | Cite: | Neutron structure of xylanase at pD5.4 To be published
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5ZKZ
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5ZIW
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5ZII
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3TMJ
| Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8 | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, Z. | Deposit date: | 2011-08-31 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed between pH 7.8 and 10.0. Biochemistry, 50, 2011
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7D49
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7D3Z
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7D4L
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7D4X
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7D6G
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6K9R
| Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-06-17 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
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1LZN
| NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME | Descriptor: | NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Bon, C.I, Lehmann, M.S, Wilkinson, C. | Deposit date: | 1999-03-23 | Release date: | 1999-04-01 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme. Acta Crystallogr.,Sect.D, 55, 1999
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4FC1
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3KMF
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5T8H
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5WEY
| Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | Deposit date: | 2017-07-11 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry, 56, 2017
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4PSY
| 100K crystal structure of Escherichia coli dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | Deposit date: | 2014-03-08 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 22, 2014
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7TUR
| Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | Authors: | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | Deposit date: | 2022-02-03 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
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4RGC
| 277K Crystal structure of Escherichia Coli dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | Deposit date: | 2014-09-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
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4IAK
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4IAY
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4IAF
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4IAC
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