1LK9
 
 | | The Three-dimensional Structure of Alliinase from Garlic | | 分子名称: | 2-AMINO-ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Kuettner, E.B, Hilgenfeld, R, Weiss, M.S. | | 登録日 | 2002-04-24 | | 公開日 | 2002-12-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | The active principle of garlic at atomic resolution
J.Biol.Chem., 277, 2002
|
|
6Y2G
 | | Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | | 分子名称: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | | 登録日 | 2020-02-15 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
|
|
7NBS
 | |
7NBR
 | |
8A4T
 | | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
|
|
8A4Q
 | | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
|
|
2J98
 | | Human coronavirus 229E non structural protein 9 cys69ala mutant (Nsp9) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, REPLICASE POLYPROTEIN 1AB | | 著者 | Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R. | | 登録日 | 2006-11-03 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
|
|
2J97
 | | Human coronavirus 229E non structural protein 9 (Nsp9) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, REPLICASE POLYPROTEIN 1AB, SULFATE ION | | 著者 | Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R. | | 登録日 | 2006-11-03 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
|
|
8AIQ
 | | Mpro of SARS COV-2 in complex with the MG-87 inhibitor | | 分子名称: | CHLORIDE ION, Replicase polyprotein 1ab, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor MG-87
To Be Published
|
|
8AIU
 | | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor MG-97
To Be Published
|
|
8AIV
 | | Mpro of SARS COV-2 in complex with the MG-100 inhibitor | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor MG-100
To Be Published
|
|
8AIZ
 | | Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor | | 分子名称: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Main Protease SARS-CoV-2 in complex with the inhibitor RK-68
To Be Published
|
|
8AJ0
 | | Mpro of SARS COV-2 in complex with the RK-90 inhibitor | | 分子名称: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.519 Å) | | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor RK-90
To Be Published
|
|
4P16
 | | Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus | | 分子名称: | ORF1a, ZINC ION | | 著者 | Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R. | | 登録日 | 2014-02-25 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
|
|
4QL6
 | |
2JBK
 | | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid) | | 分子名称: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Mesters, J.R, Henning, K, Hilgenfeld, R. | | 登録日 | 2006-12-07 | | 公開日 | 2006-12-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
2JBJ
 | | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid) | | 分子名称: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Mesters, J.R, Henning, K, Hilgenfeld, R. | | 登録日 | 2006-12-07 | | 公開日 | 2006-12-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
4K35
 | | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, glycoside hydrolase family 81 endo-beta-1,3-glucanase | | 著者 | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | | 登録日 | 2013-04-10 | | 公開日 | 2013-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
|
|
4K3A
 | | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | | 分子名称: | SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase | | 著者 | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | | 登録日 | 2013-04-10 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
|
|
2XCI
 | | Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form | | 分子名称: | 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R. | | 登録日 | 2010-04-26 | | 公開日 | 2011-05-11 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2XCU
 | | Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, complex with CMP | | 分子名称: | 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R. | | 登録日 | 2010-04-26 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1JFX
 | | Crystal structure of the bacterial lysozyme from Streptomyces coelicolor at 1.65 A resolution | | 分子名称: | 1,4-beta-N-Acetylmuramidase M1, CHLORIDE ION | | 著者 | Rau, A, Hogg, T, Marquardt, R, Hilgenfeld, R. | | 登録日 | 2001-06-22 | | 公開日 | 2001-09-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A new lysozyme fold. Crystal structure of the muramidase from Streptomyces coelicolor at 1.65 A resolution.
J.Biol.Chem., 276, 2001
|
|
2VB0
 | | Crystal structure of coxsackievirus B3 proteinase 3C | | 分子名称: | CHLORIDE ION, POLYPROTEIN 3BCD | | 著者 | Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R. | | 登録日 | 2007-09-05 | | 公開日 | 2008-10-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of Coxsackie Virus B3 Proteinase 3C
To be Published
|
|
1VIJ
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 HEXAGONAL FORM | | 分子名称: | HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE | | 著者 | Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R. | | 登録日 | 1997-05-07 | | 公開日 | 1999-01-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
|
|
1VIK
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 ORTHORHOMBIC FORM | | 分子名称: | HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE | | 著者 | Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R. | | 登録日 | 1997-05-07 | | 公開日 | 1998-12-09 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
|
|
