8U0M
 
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-2-methylbut-2-en-1-yl monophosphate and ATP | | 分子名称: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | 登録日 | 2023-08-29 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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6VJN
 | | Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide | | 分子名称: | D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ... | | 著者 | Singh, S, Liban, T.J, Pancera, M. | | 登録日 | 2020-01-16 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6WAS
 | | Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold | | 分子名称: | 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ... | | 著者 | Singh, S, Liban, T.J, Pancera, M. | | 登録日 | 2020-03-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6NM0
 | | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | | 分子名称: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Singh, S, McKenna, R. | | 登録日 | 2019-01-10 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
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6NLV
 | | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | | 分子名称: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Singh, S, McKenna, R. | | 登録日 | 2019-01-09 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | | 主引用文献 | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
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7MQA
 | | Cryo-EM structure of the human SSU processome, state post-A1 | | 分子名称: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | 著者 | Vanden Broeck, A, Singh, S, Klinge, S. | | 登録日 | 2021-05-05 | | 公開日 | 2021-09-22 | | 最終更新日 | 2021-09-29 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
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7MQ9
 | | Cryo-EM structure of the human SSU processome, state pre-A1* | | 分子名称: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | 著者 | Vanden Broeck, A, Singh, S, Klinge, S. | | 登録日 | 2021-05-05 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
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7MQ8
 | | Cryo-EM structure of the human SSU processome, state pre-A1 | | 分子名称: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | 著者 | Vanden Broeck, A, Singh, S, Klinge, S. | | 登録日 | 2021-05-05 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
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6EEA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-13 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EEH
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-14 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.629 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EEO
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-15 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EDA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-09 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6ECZ
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-08 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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4XAU
 | | Crystal structure of AtS13 from Actinomadura melliaura | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase | | 著者 | Wang, F, Singh, S, Xu, W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2014-12-15 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.0012 Å) | | 主引用文献 | Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
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4XRR
 | | Crystal structure of cals8 from micromonospora echinospora (P294S mutant) | | 分子名称: | CalS8, GLYCEROL | | 著者 | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-01-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
J. Biol. Chem., 290, 2015
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3BUS
 | | Crystal Structure of RebM | | 分子名称: | Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | McCoy, J.G, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2008-01-03 | | 公開日 | 2008-03-25 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure and mechanism of the rebeccamycin sugar 4'-O-methyltransferase RebM.
J.Biol.Chem., 283, 2008
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6K2C
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6JX6
 | | Tetrameric form of Smac | | 分子名称: | Diablo homolog, mitochondrial | | 著者 | Sivaraman, J, Singh, S, Ng, J, Nayak, D. | | 登録日 | 2019-04-22 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
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6JX5
 | | Hect domain of AREL1 | | 分子名称: | Apoptosis-resistant E3 ubiquitin protein ligase 1 | | 著者 | Sivaraman, J, Singh, S, Ng, J, Nayak, D. | | 登録日 | 2019-04-22 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
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4P77
 | | Structure of ribB complexed with substrate Ru5P | | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, RIBULOSE-5-PHOSPHATE | | 著者 | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | 登録日 | 2014-03-26 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
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4P6D
 | | Structure of ribB complexed with PO4 ion | | 分子名称: | 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, PHOSPHATE ION | | 著者 | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | 登録日 | 2014-03-24 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
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4P6P
 | | Structure of ribB complexed with inhibitor (4PEH) and metal ions | | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, ZINC ION | | 著者 | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | 登録日 | 2014-03-25 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.862 Å) | | 主引用文献 | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
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4P8J
 | | Structure of ribB | | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL | | 著者 | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | 登録日 | 2014-03-31 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
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7SHF
 | | Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex | | 分子名称: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | | 著者 | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-01 | | 最終更新日 | 2022-01-19 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
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7SHE
 | | Cryo-EM structure of human GPR158 | | 分子名称: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | | 著者 | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-01 | | 最終更新日 | 2022-01-19 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
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