2XHA
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7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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4DCQ
| Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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7Z6B
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4RSG
| Neutron crystal structure of Ras bound to the GTP analogue GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. | Deposit date: | 2014-11-07 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (1.907 Å) | Cite: | Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate. J.Biol.Chem., 290, 2015
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8CCZ
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8CCW
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1HDL
| LEKTI domain one | Descriptor: | SERINE PROTEINASE INHIBITOR LEKTI | Authors: | Lauber, T, Roesch, P, Marx, U.C. | Deposit date: | 2000-11-16 | Release date: | 2001-11-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti J.Mol.Biol., 328, 2003
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1H0Z
| LEKTI domain six | Descriptor: | SERINE PROTEASE INHIBITOR KAZAL-TYPE 5, CONTAINS HEMOFILTRATE PEPTIDE HF6478, HEMOFILTRATE PEPTIDE HF7665 | Authors: | Lauber, T, Roesch, P, Marx, U.C. | Deposit date: | 2002-07-01 | Release date: | 2003-06-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti J.Mol.Biol., 328, 2003
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7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7OBZ
| Structure of RsLOV D109G | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, LOV protein, ... | Authors: | Moeglich, A, Krafft, T.G.A, Weyand, M. | Deposit date: | 2021-04-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Light-Oxygen-Voltage Receptor Integrates Light and Temperature. J.Mol.Biol., 433, 2021
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7OB0
| Structure of RsLOV d2 variant | Descriptor: | ACETATE ION, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Moeglich, A, Krafft, T.G.A, Weyand, M. | Deposit date: | 2021-04-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Light-Oxygen-Voltage Receptor Integrates Light and Temperature. J.Mol.Biol., 433, 2021
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6YED
| E.coli's Putrescine receptor PotF in its open apo state | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE8
| E.coli's Putrescine receptor PotF complexed with Spermidine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, CHLORIDE ION, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE6
| E.coli's Putrescine receptor PotF complexed with Agmatine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YEB
| E.coli's Putrescine receptor PotF in its closed apo state | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE7
| E.coli's Putrescine receptor PotF complexed with Cadaverine | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE0
| E.coli's Putrescine receptor PotF complexed with Putrescine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-23 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YEC
| E.coli's Putrescine receptor PotF complexed with Spermine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6QH3
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6QHK
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4XQD
| X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQW
| X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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