7WCM
 
 | | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982 | | 分子名称: | 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Qiao, A.N, Wu, S, Ye, S. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2022-12-28 | | 実験手法 | ELECTRON MICROSCOPY (2.33 Å) | | 主引用文献 | Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
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7WCN
 | | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453 | | 分子名称: | Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Qiao, A.N, Wu, S, Ye, S. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2022-12-28 | | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | | 主引用文献 | Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
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7T9I
 | | Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | 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, Glycoprotein hormones alpha chain, ... | | 著者 | Faust, B, Cheng, Y, Manglik, A. | | 登録日 | 2021-12-19 | | 公開日 | 2022-08-03 | | 最終更新日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9N
 | | M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure) | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Faust, B, Cheng, Y, Manglik, A. | | 登録日 | 2021-12-19 | | 公開日 | 2022-08-03 | | 最終更新日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9M
 | | Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist | | 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, CS-17 Heavy Chain, ... | | 著者 | Faust, B, Cheng, Y, Manglik, A. | | 登録日 | 2021-12-19 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9P
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7WC5
 | | Crystal structure of serotonin 2A receptor in complex with psilocin | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC6
 | | Crystal structure of serotonin 2A receptor in complex with LSD | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC8
 | | Crystal structure of serotonin 2A receptor in complex with lumateperone | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC9
 | | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | | 分子名称: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC7
 | | Crystal structure of serotonin 2A receptor in complex with lisuride | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC4
 | | Crystal structure of serotonin 2A receptor in complex with serotonin | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7T96
 | | Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-18 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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7T9E
 | | Crystal structure of dehaloperoxidase B in complex with +(-)-limonene oxide | | 分子名称: | (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | de Serrano, V.S, Ghiladi, R.A, Malewschik, T, Yun, D. | | 登録日 | 2021-12-18 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7T9C
 | | Crystal structure of dehaloperoxidase B in complex with thymol | | 分子名称: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | de Serrano, V.S, Ghiladi, R.A, Malewschik, T, Yun, D. | | 登録日 | 2021-12-18 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7T9D
 | | Crystal structure of dehaloperoxidase B in complex with -(-) limonene oxide | | 分子名称: | (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | de Serran, V.S, Ghiladi, R.A, Malewschik, T, Yun, D. | | 登録日 | 2021-12-18 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7QKS
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7QKR
 | | Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris with Verapamil at 3.2 A resolution | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Dexverapamil, MAGNESIUM ION, ... | | 著者 | Schleker, E.S.M, Reinhart, C. | | 登録日 | 2021-12-18 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WC3
 | | X-ray structure of the human adipocyte fatty acid-binding protein complexed with the fluorescent probe HA728 | | 分子名称: | (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid, Fatty acid-binding protein, adipocyte | | 著者 | Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M, Sugiyama, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | X-ray structure of the human adipocyte fatty acid-binding protein complexed with the fluorescent probe HA728
To Be Published
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7T8T
 | | CryoEM structure of PLCg1 | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma, CALCIUM ION | | 著者 | Endo-Streeter, S, Sondek, J. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | CryoEM structure of PLCg1
To Be Published
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7T90
 | | Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state | | 分子名称: | ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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7T8X
 | | Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state | | 分子名称: | ACETYLCHOLINE, Antibody fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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7T94
 | | Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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7WBS
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 2 | | 分子名称: | (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease | | 著者 | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
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7QKE
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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