6O2P
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![BU of 6o2p by Molmil](/molmil-images/mine/6o2p) | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | 著者 | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | 登録日 | 2019-02-24 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
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6O1V
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![BU of 6o1v by Molmil](/molmil-images/mine/6o1v) | Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | 著者 | Zhang, Z, Liu, F, Chen, J, Levit, A, Shoichet, B. | 登録日 | 2019-02-21 | 公開日 | 2019-06-26 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
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6DPT
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![BU of 6dpt by Molmil](/molmil-images/mine/6dpt) | |
6DPY
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![BU of 6dpy by Molmil](/molmil-images/mine/6dpy) | |
3BM6
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![BU of 3bm6 by Molmil](/molmil-images/mine/3bm6) | AmpC beta-lactamase in complex with a p.carboxyphenylboronic acid | 分子名称: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid, Beta-lactamase | 著者 | Tondi, D. | 登録日 | 2007-12-12 | 公開日 | 2009-02-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4XGK
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![BU of 4xgk by Molmil](/molmil-images/mine/4xgk) | Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | 著者 | Wangkanont, K, Heroux, A, Forest, K.T, Kiessling, L.L. | 登録日 | 2014-12-31 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | 主引用文献 | Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents. Acs Chem.Biol., 10, 2015
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4XX9
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![BU of 4xx9 by Molmil](/molmil-images/mine/4xx9) | |
189L
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![BU of 189l by Molmil](/molmil-images/mine/189l) | |
6WH4
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![BU of 6wh4 by Molmil](/molmil-images/mine/6wh4) | Crystal structure of HTR2A with inverse agonist | 分子名称: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | 著者 | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | 登録日 | 2020-04-07 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6WHA
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![BU of 6wha by Molmil](/molmil-images/mine/6wha) | HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | 分子名称: | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile, G subunit q (Gi2-mini-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Skiniotis, G, Roth, B, Kim, K, Panova, O. | 登録日 | 2020-04-07 | 公開日 | 2020-09-23 | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | 主引用文献 | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6WGT
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![BU of 6wgt by Molmil](/molmil-images/mine/6wgt) | Crystal structure of HTR2A with hallucinogenic agonist | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | 著者 | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | 登録日 | 2020-04-06 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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4XVA
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![BU of 4xva by Molmil](/molmil-images/mine/4xva) | |
4XV4
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![BU of 4xv4 by Molmil](/molmil-images/mine/4xv4) | CcP gateless cavity | 分子名称: | 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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7UM5
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![BU of 7um5 by Molmil](/molmil-images/mine/7um5) | CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT | 分子名称: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhang, S, Fay, J.F, Roth, B.L. | 登録日 | 2022-04-06 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | 主引用文献 | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM4
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![BU of 7um4 by Molmil](/molmil-images/mine/7um4) | |
7UM6
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![BU of 7um6 by Molmil](/molmil-images/mine/7um6) | CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride | 分子名称: | 5-hydroxytryptamine receptor 5A, 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 | Zhang, S, Fay, J.F, Roth, B.L. | 登録日 | 2022-04-06 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | 主引用文献 | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM7
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![BU of 7um7 by Molmil](/molmil-images/mine/7um7) | CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine | 分子名称: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhang, S, Fay, J.F, Roth, B.L. | 登録日 | 2022-04-06 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | 主引用文献 | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7KQP
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![BU of 7kqp by Molmil](/molmil-images/mine/7kqp) | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KQW
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![BU of 7kqw by Molmil](/molmil-images/mine/7kqw) | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KQO
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![BU of 7kqo by Molmil](/molmil-images/mine/7kqo) | |
7KR1
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![BU of 7kr1 by Molmil](/molmil-images/mine/7kr1) | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KR0
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![BU of 7kr0 by Molmil](/molmil-images/mine/7kr0) | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.77 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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6DPX
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![BU of 6dpx by Molmil](/molmil-images/mine/6dpx) | |
6DPZ
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![BU of 6dpz by Molmil](/molmil-images/mine/6dpz) | |
7RAN
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![BU of 7ran by Molmil](/molmil-images/mine/7ran) | 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | 分子名称: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ... | 著者 | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | 登録日 | 2021-07-02 | 公開日 | 2022-07-06 | 最終更新日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity. Nature, 610, 2022
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