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1RT8
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CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
分子名称: SULFATE ION, fimbrin
著者Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
登録日2003-12-10
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
2A0Y
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Structure of human purine nucleoside phosphorylase H257D mutant
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
著者Murkin, A.S, Shi, W, Schramm, V.L.
登録日2005-06-17
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
1XM5
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Crystal structure of metal-dependent hydrolase ybeY from E. coli, Pfam UPF0054
分子名称: Hypothetical UPF0054 protein ybeY, NICKEL (II) ION
著者Fedorov, A.A, Fedorov, E.V, Shi, W, Ramagopal, U.A, Thirumuruhan, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-10-01
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The ybeY protein from Escherichia coli is a metalloprotein.
Acta Crystallogr.,Sect.F, 61, 2005
2A0W
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Structure of human purine nucleoside phosphorylase H257G mutant
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
著者Murkin, A.S, Shi, W, Schramm, V.L.
登録日2005-06-17
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
2A0X
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Structure of human purine nucleoside phosphorylase H257F mutant
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
著者Murkin, A.S, Shi, W, Schramm, V.L.
登録日2005-06-17
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
2O3J
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Structure of Caenorhabditis Elegans UDP-Glucose Dehydrogenase
分子名称: GLYCEROL, UDP-glucose 6-dehydrogenase
著者Zhang, Y, Zhan, C, Patskovsky, Y, Ramagopal, U, Shi, W, Toro, R, Wengerter, B.C, Milst, S, Vidal, M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-12-01
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of Caenorhabditis Elegans Udp-Glucose Dehydrogenase
To be Published
2PMB
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BU of 2pmb by Molmil
Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae
分子名称: GLYCEROL, PHOSPHATE ION, Uncharacterized protein
著者Patskovsky, Y, Zhan, C, Shi, W, Toro, R, Sauder, J.M, Gilmore, J, Iizuka, M, Maletic, M, Gheyi, T, Wasserman, S.R, Smith, D, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-20
公開日2007-05-08
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae.
To be Published
2R5X
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BU of 2r5x by Molmil
Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426
分子名称: Uncharacterized conserved protein
著者Ramagopal, U.A, Patskovsky, Y, Shi, W, Toro, R, Meyer, A.J, Freeman, J, Wu, B, Koss, J, Groshong, C, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-09-04
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426.
To be Published
4U8G
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Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae
分子名称: Putative uncharacterized protein gbs1891
著者Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
登録日2014-08-03
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE.
J.Biol.Chem., 290, 2015
1J1N
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Structure Analysis of AlgQ2, A Macromolecule(Alginate)-Binding Periplasmic Protein Of Sphingomonas Sp. A1., Complexed with an Alginate Tetrasaccharide
分子名称: AlgQ2, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid
著者Momma, K, Mikami, B, Mishima, Y, Hashimoto, W, Murata, K.
登録日2002-12-11
公開日2003-06-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of AlgQ2, a macromolecule (alginate)-binding protein of Sphingomonas sp. A1, complexed with an alginate tetrasaccharide at 1.6-A resolution
J.BIOL.CHEM., 278, 2003
5H6U
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Structure of alginate-binding protein AlgQ2 in complex with an alginate pentasaccharide
分子名称: AlgQ2, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Uenishi, K, Kaneko, A, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W.
登録日2016-11-15
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献A solute-binding protein in the closed conformation induces ATP hydrolysis in a bacterial ATP-binding cassette transporter involved in the import of alginate
J. Biol. Chem., 292, 2017
4U8E
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Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae
分子名称: Putative uncharacterized protein gbs1892
著者Maruyama, y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
登録日2014-08-03
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE
J.Biol.Chem., 290, 2015
7YRS
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BU of 7yrs by Molmil
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with MOPS
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase, ZINC ION
著者Yamamoto, Y, Oiki, S, Takase, R, Mikami, B, Hashimoto, W.
登録日2022-08-10
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal Structures of Lacticaseibacillus 4-Deoxy-L- threo- 5-hexosulose-uronate Ketol-isomerase KduI in Complex with Substrate Analogs.
J Appl Glycosci (1999), 70, 2023
4W7H
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BU of 4w7h by Molmil
Crystal Structure of DEH Reductase A1-R Mutant
分子名称: Carbonyl reductase
著者Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W.
登録日2014-08-22
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism.
J.Biol.Chem., 289, 2014
4W7I
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Crystal structure of DEH reductase A1-R' mutant
分子名称: 4-deoxy-L-erythro-5-hexoseulose uronate reductase A1-R'
著者Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W.
登録日2014-08-22
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism.
J.Biol.Chem., 289, 2014
7JYC
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K3T
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-13
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6D
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SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K40
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form)
著者Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-14
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6E
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SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
6A6S
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Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans in complex with FSA, Seleno-methionine Derivative
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
登録日2018-06-29
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
6A6U
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Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation, in complex with FSA
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
登録日2018-06-29
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
6K1Q
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Human endothelin receptor type-B in complex with inverse agonist IRL2500
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ...
著者Nagiri, C, Shihoya, W, Nureki, O.
登録日2019-05-11
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
4TQU
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Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate
分子名称: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, AlgM1, AlgM2, ...
著者Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K.
登録日2014-06-12
公開日2015-07-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
4TQV
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Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate
分子名称: AlgM1, AlgM2, AlgS
著者Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K.
登録日2014-06-12
公開日2015-07-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.504 Å)
主引用文献Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015

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