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8WKN
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BU of 8wkn by Molmil
Cryo-EM structure of DSR2-DSAD1
分子名称: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-09-28
公開日2024-05-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8YN8
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BU of 8yn8 by Molmil
Cryo-EM structure of histamine H3 receptor in complex with proxyfan and miniGo
分子名称: 5-(3-phenylmethoxypropyl)-1H-imidazole, Antibody fragment scFv16, CHOLESTEROL, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-16
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN4
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BU of 8yn4 by Molmil
Cryo-EM structure of histamine H2 receptor in complex with histamine and miniGq
分子名称: Antibody fragment scFv16, CHOLESTEROL, Engineered guanine nucleotide-binding protein G(q) subunit alpha, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN7
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BU of 8yn7 by Molmil
Cryo-EM structure of histamine H3 receptor in complex with immethridine and miniGo
分子名称: 4-(1H-imidazol-4-ylmethyl)pyridine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-16
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN6
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BU of 8yn6 by Molmil
Cryo-EM structure of histamine H3 receptor in complex with imetit and Gi
分子名称: 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, Antibody fragment scFv16, CHOLESTEROL, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN2
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BU of 8yn2 by Molmil
Cryo-EM structure of histamine H1 receptor in complex with histamine and miniGq
分子名称: Antibody fragment scFv16, CHOLESTEROL, Engineered guanine nucleotide-binding protein G(q) subunit alpha, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN9
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BU of 8yn9 by Molmil
Cryo-EM structure of histamine H4 receptor in complex with histamine and Gi
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8YN5
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BU of 8yn5 by Molmil
Cryo-EM structure of histamine H3 receptor in complex with histamine and Gi
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
7KHJ
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BU of 7khj by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
分子名称: 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit
著者Zhang, Y.
登録日2020-10-21
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHK
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BU of 7khk by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX9486 (bezuclastinib) in the DFG-in state
分子名称: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide, Mast/stem cell growth factor receptor Kit
著者Zhang, Y.
登録日2020-10-21
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
8YN3
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BU of 8yn3 by Molmil
Cryo-EM structure of histamine H2 receptor in complex with histamine and miniGs
分子名称: CHOLESTEROL, Engineered guanine nucleotide,binding protein G(s) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
7KHG
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BU of 7khg by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
分子名称: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit
著者Zhang, Y.
登録日2020-10-21
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
8YNA
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BU of 8yna by Molmil
Cryo-EM structure of histamine H4 receptor in complex with immepip and Gi
分子名称: 4-(1H-imidazol-5-ylmethyl)piperidine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Zhang, X, Liu, G, Li, X, Gong, W.
登録日2024-03-10
公開日2024-10-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
8JNK
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BU of 8jnk by Molmil
Crystal structure of human ALKBH3 bound to ssDNA through active site crosslink
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, DNA, MANGANESE (II) ION, ...
著者Zhang, L.
登録日2023-06-06
公開日2024-01-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The Molecular Basis of Human ALKBH3 Mediated RNA N 1 -methyladenosine (m 1 A) Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JNR
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BU of 8jnr by Molmil
Crystal structure of human ALKBH3 bound to 3mC containing ssDNA through distal crosslink
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, DNA, MANGANESE (II) ION, ...
著者Zhang, L.
登録日2023-06-06
公開日2024-01-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献The Molecular Basis of Human ALKBH3 Mediated RNA N 1 -methyladenosine (m 1 A) Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7FAR
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BU of 7far by Molmil
Crystal structure of PDE5A in complex with inhibitor L12
分子名称: 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ...
著者Wu, D, Huang, Y.Y, Luo, H.B.
登録日2021-07-07
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.40006471 Å)
主引用文献Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
7Y4H
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BU of 7y4h by Molmil
AcvX from Actinomadura viridis that exhibits deglycosylation activity on lobophorins
分子名称: AcvX
著者Tan, B, Zhang, L.P, Zhang, C.S.
登録日2022-06-14
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Widespread Glycosidase Confers Lobophorin Resistance and Host-Dependent Structural Diversity.
Angew.Chem.Int.Ed.Engl., 62, 2023
7FAQ
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BU of 7faq by Molmil
Crystal structure of PDE5A in complex with inhibitor L1
分子名称: 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.Y, Luo, H.B.
登録日2021-07-07
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.200136 Å)
主引用文献Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
7XQE
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BU of 7xqe by Molmil
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
分子名称: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
著者Wu, X, Li, C, Zhang, Y, Xu, Y.
登録日2022-05-07
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
7EXC
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BU of 7exc by Molmil
Crystal structure of T2R-TTL-1129A2 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Yang, J.H, Yan, W.
登録日2021-05-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
6J1L
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BU of 6j1l by Molmil
Crystal Structure Analysis of the ROR gamma(C455E)
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma
著者zhang, Y, Li, C.C, wu, X.S.
登録日2018-12-28
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
6NJH
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BU of 6njh by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48
分子名称: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, MAGNESIUM ION, ZINC ION, ...
著者Fox III, D, Fairman, J.W, Gurney, M.E.
登録日2019-01-03
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6NJJ
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BU of 6njj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
分子名称: (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Fox III, D, Fairman, J.W, Gurney, M.E.
登録日2019-01-03
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6NJI
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BU of 6nji by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49
分子名称: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ...
著者Fox III, D, Fairman, J.W, Gurney, M.E.
登録日2019-01-03
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019

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件を2025-07-09に公開中

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