4W7H
 
 | | Crystal Structure of DEH Reductase A1-R Mutant | | Descriptor: | Carbonyl reductase | | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | | Deposit date: | 2014-08-22 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism.
J.Biol.Chem., 289, 2014
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1LH0
 | | Crystal Structure of Salmonella typhimurium OMP Synthase in Complex with MGPRPP and Orotate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OMP synthase, ... | | Authors: | Fedorov, A.A, Panneerselvam, K, Shi, W, Grubmeyer, C, Almo, S.C. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Salmonella typhimurium OMP Synthase in a Complete Substrate Complex.
Biochemistry, 51, 2012
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1VD5
 | | Crystal Structure of Unsaturated Glucuronyl Hydrolase, Responsible for the Degradation of Glycosaminoglycan, from Bacillus sp. GL1 at 1.8 A Resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCINE, ... | | Authors: | Itoh, T, Akao, S, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2004-03-18 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Unsaturated Glucuronyl Hydrolase, Responsible for the Degradation of Glycosaminoglycan, from Bacillus sp. GL1 at 1.8 A Resolution
J.Biol.Chem., 279, 2004
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1RT8
 | | CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN | | Descriptor: | SULFATE ION, fimbrin | | Authors: | Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C. | | Deposit date: | 2003-12-10 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
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2FUZ
 | | UGL hexagonal crystal structure without glycine and DTT molecules | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Unsaturated glucuronyl hydrolase | | Authors: | Itoh, T, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2006-01-28 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate recognition by unsaturated glucuronyl hydrolase from Bacillus sp. GL1
Biochem.Biophys.Res.Commun., 344, 2006
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7K6E
 | | 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) | | Descriptor: | (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 | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (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, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K3T
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-13 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6D
 | | 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) | | Descriptor: | (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 | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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4E1Y
 | | Alginate lyase A1-III H192A apo form | | Descriptor: | Alginate lyase | | Authors: | Mikami, B, Ban, M, Suzuki, S, Yoon, H.-J, Miyake, O, Yamasaki, M, Ogura, K, Maruyama, Y, Hashimoto, W, Murata, K. | | Deposit date: | 2012-03-07 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Induced-fit motion of a lid loop involved in catalysis in alginate lyase A1-III
Acta Crystallogr.,Sect.D, 68, 2012
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4W7I
 | | Crystal structure of DEH reductase A1-R' mutant | | Descriptor: | 4-deoxy-L-erythro-5-hexoseulose uronate reductase A1-R' | | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | | Deposit date: | 2014-08-22 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism.
J.Biol.Chem., 289, 2014
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8ZH8
 | | Human GPR103 -Gq complex bound to QRFP26 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Iwama, A, Akasaka, H, Sano, F.K, Oshima, H.S, Shihoya, W, Nureki, O. | | Deposit date: | 2024-05-10 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structure and dynamics of the pyroglutamylated RF-amide peptide QRFP receptor GPR103.
Nat Commun, 15, 2024
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8IY6
 | | ETB-Gi complex bound to Endotheline-1, focused on receptor | | Descriptor: | Endothelin type B receptor, Endothelin-1 | | Authors: | Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2023-04-04 | | Release date: | 2023-08-16 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Cryo-EM structure of the endothelin-1-ET B -G i complex.
Elife, 12, 2023
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8IY5
 | | ETB-Gi complex bound to endothelin-1 | | Descriptor: | Endothelin type B receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2023-04-04 | | Release date: | 2023-08-16 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structure of the endothelin-1-ET B -G i complex.
Elife, 12, 2023
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8J97
 | | Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local refine, cross-linked) | | Descriptor: | Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ... | | Authors: | Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K. | | Deposit date: | 2023-05-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
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8JAF
 | | Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local Refine, non-cross linked) | | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | | Authors: | Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K. | | Deposit date: | 2023-05-05 | | Release date: | 2023-12-27 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
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8J8R
 | | Structure of beta-arrestin2 in complex with M2Rpp | | Descriptor: | Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ... | | Authors: | Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K. | | Deposit date: | 2023-05-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
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4TQV
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | AlgM1, AlgM2, AlgS | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.504 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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4TQU
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | 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, ... | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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1XM5
 | | Crystal structure of metal-dependent hydrolase ybeY from E. coli, Pfam UPF0054 | | Descriptor: | Hypothetical UPF0054 protein ybeY, NICKEL (II) ION | | Authors: | 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) | | Deposit date: | 2004-10-01 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The ybeY protein from Escherichia coli is a metalloprotein.
Acta Crystallogr.,Sect.F, 61, 2005
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2A0Y
 | | Structure of human purine nucleoside phosphorylase H257D mutant | | Descriptor: | 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 | | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | | Deposit date: | 2005-06-17 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
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2A0W
 | | Structure of human purine nucleoside phosphorylase H257G mutant | | Descriptor: | 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 | | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | | Deposit date: | 2005-06-17 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
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7KTY
 | | Data clustering and dynamics of chymotrypsinogen average structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7YTB
 | | Crystal structure of Kin4B8 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL | | Authors: | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | | Deposit date: | 2022-08-14 | | Release date: | 2023-03-15 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
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