8DWG
 
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | | 分子名称: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | 登録日 | 2022-08-01 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-04-12 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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4XGK
 | | Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic | | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | | 著者 | Wangkanont, K, Heroux, A, Forest, K.T, Kiessling, L.L. | | 登録日 | 2014-12-31 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | | 主引用文献 | Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Acs Chem.Biol., 10, 2015
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3BM6
 | | AmpC beta-lactamase in complex with a p.carboxyphenylboronic acid | | 分子名称: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid, Beta-lactamase | | 著者 | Tondi, D. | | 登録日 | 2007-12-12 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3FDK
 | | Crystal structure of hydrolase DR0930 with promiscuous catalytic activity | | 分子名称: | HYDROLASE DR0930, ZINC ION | | 著者 | Fedorov, A.A, Fedorov, L.V, Xiang, D.F, Raushel, F.M, Almo, S.C. | | 登録日 | 2008-11-25 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily.
Biochemistry, 48, 2009
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4JM8
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMA
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | | 分子名称: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM9
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | | 分子名称: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMW
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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2BLS
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7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQW
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQO
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7KR0
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-18 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (0.77 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KR1
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-18 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7M96
 | | Bovine sigma-2 receptor bound to Z4857158944 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M95
 | | Bovine sigma-2 receptor bound to Z1241145220 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7MFI
 | | Bovine sigma-2 receptor bound to cholesterol | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-04-09 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M94
 | | Bovine sigma-2 receptor bound to Roluperidone | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2 | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M93
 | | Bovine sigma-2 receptor bound to PB28 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2 | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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3HPA
 | | Crystal structure of an amidohydrolase gi:44264246 from an evironmental sample of sargasso sea | | 分子名称: | AMIDOHYDROLASE, ZINC ION | | 著者 | Fedorov, A.A, Fedorov, E.V, Toro, R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-06-03 | | 公開日 | 2009-06-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The hunt for 8-oxoguanine deaminase.
J.Am.Chem.Soc., 132, 2010
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3ID7
 | | Crystal structure of renal dipeptidase from Streptomyces coelicolor A3(2) | | 分子名称: | CHLORIDE ION, Dipeptidase, ZINC ION | | 著者 | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | 登録日 | 2009-07-20 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase .
Biochemistry, 49, 2010
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3ITC
 | | Crystal structure of Sco3058 with bound citrate and glycerol | | 分子名称: | CITRIC ACID, GLYCEROL, ZINC ION, ... | | 著者 | Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M. | | 登録日 | 2009-08-28 | | 公開日 | 2010-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase
Biochemistry, 49, 2010
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3K5X
 | | Crystal structure of dipeptidase from Streptomics coelicolor complexed with phosphinate pseudodipeptide L-Ala-D-Asp at 1.4A resolution. | | 分子名称: | Dipeptidase, ZINC ION, phosphinate pseudodipeptide L-Ala-D-Asp | | 著者 | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | 登録日 | 2009-10-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase .
Biochemistry, 49, 2010
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4M51
 | | Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ... | | 著者 | Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-08-07 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
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