3SWW
| Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | 著者 | Klei, H.E. | 登録日 | 2011-07-14 | 公開日 | 2011-10-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
|
|
6P5O
| |
7ZK6
| ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
2RIP
| Structure of DPPIV in complex with an inhibitor | 分子名称: | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-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 | Qiu, X. | 登録日 | 2007-10-12 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
7ZK9
| ABCB1 L971C mutant (mABCB1) in the inward facing state | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | 著者 | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
7ZKA
| ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | 著者 | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
7ZK5
| ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
7ZK4
| The ABCB1 L335C mutant (mABCB1) in the outward facing state | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
2RKE
| The Structure of rat cytosolic PEPCK in complex with sulfoacetate. | 分子名称: | MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ... | 著者 | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | 登録日 | 2007-10-16 | 公開日 | 2008-01-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition. Biochemistry, 47, 2008
|
|
7ZKB
| ABCB1 V978C mutant (mABCB1) in the inward facing state | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
7ZK8
| ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | 登録日 | 2022-04-12 | 公開日 | 2023-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
|
|
6N42
| |
2RK7
| The Structure of rat cytosolic PEPCK in complex with oxalate | 分子名称: | MANGANESE (II) ION, OXALATE ION, Phosphoenolpyruvate carboxykinase, ... | 著者 | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | 登録日 | 2007-10-16 | 公開日 | 2008-01-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition. Biochemistry, 47, 2008
|
|
6NI3
| B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex | 分子名称: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | 登録日 | 2018-12-26 | 公開日 | 2019-11-20 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex. Nat.Struct.Mol.Biol., 26, 2019
|
|
6NIY
| A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | 分子名称: | Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M. | 登録日 | 2019-01-02 | 公開日 | 2019-01-23 | 最終更新日 | 2020-04-08 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | The Molecular Control of Calcitonin Receptor Signaling. Acs Pharmacol Transl Sci, 2, 2019
|
|
6NO7
| Crystal Structure of the full-length wild-type PKA RIa Holoenzyme | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Lu, T, Wu, J, Taylor, S.S. | 登録日 | 2019-01-15 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Two PKA RI alpha holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
3SX4
| Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | 著者 | Klei, H.E. | 登録日 | 2011-07-14 | 公開日 | 2011-10-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3TNQ
| Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein kinase, ... | 著者 | Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S. | 登録日 | 2011-09-01 | 公開日 | 2012-02-01 | 最終更新日 | 2012-09-26 | 実験手法 | X-RAY DIFFRACTION (3.097 Å) | 主引用文献 | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme Science, 335, 2012
|
|
3TNP
| Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | 分子名称: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | 著者 | Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S. | 登録日 | 2011-09-01 | 公開日 | 2012-02-01 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme Science, 335, 2012
|
|
3QBJ
| Crystal structure of dipeptidyl peptidase IV in complex with inhibitor | 分子名称: | 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one, 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 | Liu, S.P. | 登録日 | 2011-01-13 | 公開日 | 2012-01-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structure of dipeptidyl peptidase IV in complex with inhibitor To be Published
|
|
3RLA
| |
2GBC
| Native DPP-IV (CD26) from Rat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | 登録日 | 2006-03-10 | 公開日 | 2006-07-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
|
|
2G9U
| The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol and phosphate | 分子名称: | (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E. | 登録日 | 2006-03-07 | 公開日 | 2007-01-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition. J.Med.Chem., 49, 2006
|
|
2G9V
| The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethylpiperidine-3,4-diol and phosphate | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E. | 登録日 | 2006-03-07 | 公開日 | 2007-01-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition. J.Med.Chem., 49, 2006
|
|
2G9Q
| The crystal structure of the glycogen phosphorylase b- 1AB complex | 分子名称: | 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E, Kristiansen, M, Agius, L. | 登録日 | 2006-03-07 | 公開日 | 2007-01-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition. J.Med.Chem., 49, 2006
|
|