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7F8W
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Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gq
分子名称: Gastrin-17, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q.
登録日2021-07-02
公開日2021-10-13
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
7F8X
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Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056
分子名称: ASP-SMF-NLE-GLY-TRP-NLE-OEM-MEA-NH2 (NN9056), Cholecystokinin receptor type A,Endolysin
著者Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q.
登録日2021-07-02
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
8SW4
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BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
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, 21M20 heavy chain variable region, ...
著者Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
登録日2023-05-17
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Neutralizing antibodies induced in non-human primates by germline targeting Env trimer
To Be Published
4QFG
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Structure of AMPK in complex with STAUROSPORINE inhibitor and in the absence of a synthetic activator
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2014-05-20
公開日2014-08-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4UQH
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Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2014-06-23
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4QFR
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Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor
分子名称: 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2014-05-21
公開日2014-08-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4V3Q
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Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
分子名称: CALCIUM ION, GLYCEROL, YIII_M4_AII
著者Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
登録日2014-10-20
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects.
Acta Crystallogr D Struct Biol, 72, 2016
4QFS
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Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor
分子名称: 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2014-05-21
公開日2014-08-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
8JCU
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BU of 8jcu by Molmil
Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495 (dimerization mode I)
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2,Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Wang, X, Wang, M, Xu, T, Feng, Y, Zhao, Q, Wu, B.
登録日2023-05-12
公開日2023-06-21
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
6U84
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Apo full-length rat TRPV2 in nanodiscs, state 1
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6U86
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Apo full-length rat TRPV2 in nanodiscs, state 2
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
7K65
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Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23
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, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
著者Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A.
登録日2020-09-18
公開日2021-03-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8A
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CBD-bound full-length rat TRPV2 in nanodiscs, state 1
分子名称: Transient receptor potential cation channel subfamily V member 2, cannabidiol
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6L3A
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Cytochrome P450 107G1 (RapN) with everolimus
分子名称: Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE
著者Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6L39
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Cytochrome P450 107G1 (RapN)
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6U88
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CBD-bound full-length rat TRPV2 in nanodiscs, state 2
分子名称: Transient receptor potential cation channel subfamily V member 2, cannabidiol
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
6S8N
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Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8H
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Cryo-EM structure of LptB2FG in complex with LPS
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8G
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Cryo-EM structure of LptB2FGC in complex with AMP-PNP
分子名称: Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
7EW8
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Legionella pneumophila effector AnkD
分子名称: ANK_REP_REGION domain-containing protein
著者Chen, T.T, Lin, Y.L.
登録日2021-05-24
公開日2022-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet.
Sci Adv, 8, 2022
7KQL
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Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
6IIU
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BU of 6iiu by Molmil
Crystal structure of the human thromboxane A2 receptor bound to ramatroban
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ...
著者Fan, H, Zhao, Q, Wu, B.
登録日2018-10-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6IIV
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Crystal structure of the human thromboxane A2 receptor bound to daltroban
分子名称: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ...
著者Fan, H, Zhao, Q, Wu, B.
登録日2018-10-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
7ONS
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PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
分子名称: 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021

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