7F8W
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![BU of 7f8w by Molmil](/molmil-images/mine/7f8w) | 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
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7F8X
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![BU of 7f8x by Molmil](/molmil-images/mine/7f8x) | 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
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8SW4
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![BU of 8sw4 by Molmil](/molmil-images/mine/8sw4) | 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
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4QFG
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4UQH
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![BU of 4uqh by Molmil](/molmil-images/mine/4uqh) | 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
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4QFR
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![BU of 4qfr by Molmil](/molmil-images/mine/4qfr) | 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
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4V3Q
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![BU of 4v3q by Molmil](/molmil-images/mine/4v3q) | 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
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4QFS
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![BU of 4qfs by Molmil](/molmil-images/mine/4qfs) | 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
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8JCU
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![BU of 8jcu by Molmil](/molmil-images/mine/8jcu) | 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
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6U84
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6U86
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7K65
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![BU of 7k65 by Molmil](/molmil-images/mine/7k65) | 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
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6U8A
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6L3A
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![BU of 6l3a by Molmil](/molmil-images/mine/6l3a) | 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
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6L39
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![BU of 6l39 by Molmil](/molmil-images/mine/6l39) | 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
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6U88
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7CM9
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![BU of 7cm9 by Molmil](/molmil-images/mine/7cm9) | 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
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6S8N
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![BU of 6s8n by Molmil](/molmil-images/mine/6s8n) | 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
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6S8H
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![BU of 6s8h by Molmil](/molmil-images/mine/6s8h) | 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
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6S8G
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![BU of 6s8g by Molmil](/molmil-images/mine/6s8g) | 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
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7EW8
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![BU of 7ew8 by Molmil](/molmil-images/mine/7ew8) | 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
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7KQL
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![BU of 7kql by Molmil](/molmil-images/mine/7kql) | 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
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6IIU
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![BU of 6iiu by Molmil](/molmil-images/mine/6iiu) | 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
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6IIV
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![BU of 6iiv by Molmil](/molmil-images/mine/6iiv) | 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
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | 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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