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7FEE
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BU of 7fee by Molmil
Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ...
著者Wang, X, Zhao, C, Shao, Z.
登録日2021-07-19
公開日2022-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
4C7A
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BU of 4c7a by Molmil
Crystal structure of the Smoothened CRD, selenomethionine-labeled
分子名称: SMOOTHENED, SODIUM ION, ZINC ION
著者Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C.
登録日2013-09-20
公開日2013-11-06
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling
Elife, 2, 2013
4C79
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BU of 4c79 by Molmil
Crystal structure of the Smoothened CRD, native
分子名称: SMOOTHENED, SODIUM ION, ZINC ION
著者Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C.
登録日2013-09-20
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling
Elife, 2, 2013
5J3J
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BU of 5j3j by Molmil
Crystal Structure of human DPP-IV in complex with HL1
分子名称: (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Wu, F, Li, H, Zhao, Z, Zhu, L, Xu, H, Li, S.
登録日2016-03-31
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of human DPP-IV in complex with HL1
To Be Published
6JO7
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BU of 6jo7 by Molmil
Crystal structure of mouse MXRA8
分子名称: Matrix remodeling-associated protein 8
著者Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F.
登録日2019-03-20
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
6JO8
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BU of 6jo8 by Molmil
The complex structure of CHIKV envelope glycoprotein bound to human MXRA8
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ...
著者Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G.
登録日2019-03-20
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.495 Å)
主引用文献Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
4ZJC
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BU of 4zjc by Molmil
Structures of the human OX1 orexin receptor bound to selective and dual antagonists
分子名称: OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase
著者Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M.
登録日2015-04-29
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.832 Å)
主引用文献Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
4ZJ8
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BU of 4zj8 by Molmil
Structures of the human OX1 orexin receptor bound to selective and dual antagonists
分子名称: OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, human OX1R fusion protein to P.abysii glycogen synthase
著者Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P, Renger, J.J, Rosenbaum, D.M.
登録日2015-04-29
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
6IH5
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BU of 6ih5 by Molmil
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH4
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BU of 6ih4 by Molmil
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506
分子名称: Phosphite dehydrogenase
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH2
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BU of 6ih2 by Molmil
Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506
分子名称: Phosphite dehydrogenase
著者Song, X, Zhao, Z, Liu, Y, Feng, Y.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH3
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BU of 6ih3 by Molmil
Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Zhao, Z, Liu, Y.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH8
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BU of 6ih8 by Molmil
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506
分子名称: Phosphite dehydrogenase
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH6
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BU of 6ih6 by Molmil
Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
著者Xu, Z, Shao, Z.
登録日2022-02-10
公開日2022-06-15
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7F83
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BU of 7f83 by Molmil
Crystal Structure of a receptor in Complex with inverse agonist
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone, Growth hormone secretagogue receptor type 1,Soluble cytochrome b562
著者Xu, Z, Shao, Z.
登録日2021-07-01
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
7CKY
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BU of 7cky by Molmil
Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex
分子名称: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKZ
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BU of 7ckz by Molmil
Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex
分子名称: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKX
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BU of 7ckx by Molmil
Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
8GQD
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BU of 8gqd by Molmil
Complex Structure of Arginine Kinase McsB and McsA from Staphylococcus aureus
分子名称: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
著者Lu, K, Luo, B, Tao, X, Li, H, Xie, Y, Zhao, Z, Xia, W, Su, Z, Mao, Z.
登録日2022-08-30
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Complex Structure and Activation Mechanism of Arginine Kinase McsB by McsA
To Be Published
6XAS
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BU of 6xas by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex
分子名称: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
登録日2020-06-04
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
6XAV
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BU of 6xav by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex bound with NusG
分子名称: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
登録日2020-06-04
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
7UWH
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BU of 7uwh by Molmil
CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex bound to ribonucleotide substrate
分子名称: DNA (59-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I.
登録日2022-05-03
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
7UWE
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BU of 7uwe by Molmil
CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex
分子名称: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I.
登録日2022-05-03
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
6JYV
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BU of 6jyv by Molmil
Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1
分子名称: Probable iron/ascorbate oxidoreductase, SODIUM ION
著者Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M.
登録日2019-04-28
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019

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