2R9G
 
 | | Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-12 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium.
To be Published
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2R5X
 | | Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426 | | Descriptor: | Uncharacterized conserved protein | | Authors: | 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) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426.
To be Published
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2O3J
 | | Structure of Caenorhabditis Elegans UDP-Glucose Dehydrogenase | | Descriptor: | GLYCEROL, UDP-glucose 6-dehydrogenase | | Authors: | 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) | | Deposit date: | 2006-12-01 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of Caenorhabditis Elegans Udp-Glucose Dehydrogenase
To be Published
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6BIG
 | | Crystal structure of cobalt-substituted Synechocystis ACO | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, COBALT (II) ION | | Authors: | Sui, X, Shi, W, Kiser, P.D. | | Deposit date: | 2017-11-02 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Preparation and characterization of metal-substituted carotenoid cleavage oxygenases.
J. Biol. Inorg. Chem., 23, 2018
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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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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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2A0X
 | | Structure of human purine nucleoside phosphorylase H257F 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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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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8XGR
 | | ETB-eGt complex bound to endothelin-1 | | Descriptor: | Camelid antibody VHH fragment, Endothelin receptor type B, Endothelin-1, ... | | Authors: | Oshima, H.S, Sano, F.K, Akasaka, H, Iwama, A, Shihoya, W, Nureki, O. | | Deposit date: | 2023-12-15 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Optimizing cryo-EM structural analysis of G i -coupling receptors via engineered G t and Nb35 application.
Biochem.Biophys.Res.Commun., 693, 2024
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4XIG
 | | Crystal structure of bacterial alginate ABC transporter determined through humid air and glue-coating method | | 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: | Kaneko, A, Maruyama, Y, Mizuno, N, Baba, S, Kumasaka, T, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2015-01-07 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.402 Å) | | Cite: | 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
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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: | 2023-10-18 | | 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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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: | 2023-10-18 | | 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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8XBG
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8XBE
 | | Human GPR34 -Gi complex bound to S3E-LysoPS | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Kawahara, R, Shihoya, W, Nureki, O. | | Deposit date: | 2023-12-06 | | Release date: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
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6JBO
 | | Crystal structure of EfeO-like protein Algp7 containing samarium ion | | Descriptor: | 1,2-ETHANEDIOL, Alginate-binding protein, CITRIC ACID | | Authors: | Okumura, K, Takase, R, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2019-01-26 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Rare metal binding by a cell-surface component of bacterial EfeUOB iron importer
To Be Published
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6JBN
 | | Crystal structure of Sphingomonas sp. A1 peroxidase EfeB responsible for import of iron | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, OXYGEN MOLECULE, ... | | Authors: | Okumura, K, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2019-01-26 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rare metal binding by a cell-surface component of bacterial EfeUOB iron importer
To Be Published
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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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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: | 2024-01-17 | | 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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