3HAB
 
 | | The structure of DPP4 in complex with piperidine fused benzimidazole 25 | | 分子名称: | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G. | | 登録日 | 2009-05-01 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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3J4Q
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3J4R
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7PIU
 | | Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution. | | 分子名称: | CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | 登録日 | 2021-08-23 | | 公開日 | 2021-11-17 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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7PIV
 | | Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution. | | 分子名称: | CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | 登録日 | 2021-08-23 | | 公開日 | 2021-11-17 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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7OTI
 | | Structure of ABCB1/P-glycoprotein in apo state | | 分子名称: | Multidrug resistance protein 1A | | 著者 | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | 登録日 | 2021-06-10 | | 公開日 | 2021-12-08 | | 最終更新日 | 2022-01-05 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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7OTG
 | | Structure of ABCB1/P-glycoprotein in the presence of the CFTR potentiator ivacaftor | | 分子名称: | Multidrug resistance protein 1A, N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | | 著者 | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | 登録日 | 2021-06-10 | | 公開日 | 2021-12-08 | | 最終更新日 | 2022-01-05 | | 実験手法 | ELECTRON MICROSCOPY (5.4 Å) | | 主引用文献 | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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5V9F
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5X3F
 | | Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain | | 分子名称: | Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O. | | 登録日 | 2017-02-05 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | | 主引用文献 | Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
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7PIE
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.427 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIG
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PID
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.496 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIF
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIH
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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5XTH
 | | Cryo-EM structure of human respiratory supercomplex I1III2IV1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | | 著者 | Gu, J, Wu, M, Yang, M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2019-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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5XTI
 | | Cryo-EM architecture of human respiratory chain megacomplex-I2III2IV2 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | | 著者 | Gu, J, Wu, M, Yang, M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2019-11-20 | | 実験手法 | ELECTRON MICROSCOPY (17.4 Å) | | 主引用文献 | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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7PNS
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-09-07 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7QER
 | | human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEQ
 | | human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEW
 | | human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QET
 | | human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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5XTE
 | | Cryo-EM structure of human respiratory complex III (cytochrome bc1 complex) | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, ... | | 著者 | Gu, J, Wu, M, Yang, M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-08-30 | | 最終更新日 | 2019-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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5V95
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5Y7K
 | | Crystal structure of human DPP4 in complex with inhibitor1 | | 分子名称: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4 | | 著者 | Lee, H.K, Kim, E.E. | | 登録日 | 2017-08-17 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | | 主引用文献 | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV.
Biochem.Biophys.Res.Commun., 494, 2017
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5Y7J
 | | Crystal structure of human DPP4 in complex with inhibitor2 | | 分子名称: | (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4 | | 著者 | Lee, H.K, Kim, E.E. | | 登録日 | 2017-08-17 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.521 Å) | | 主引用文献 | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV.
Biochem.Biophys.Res.Commun., 494, 2017
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