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7TP6
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The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid
分子名称: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TP5
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The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid
分子名称: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7QWH
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BU of 7qwh by Molmil
X-ray structure of the adduct formed upon reaction of a vanadium hydroxyquinoline complex with RNase A
分子名称: 2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene, Ribonuclease pancreatic
著者Merlino, A, Ferraro, G.
登録日2022-01-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.573 Å)
主引用文献Interaction of VIVO-8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization
Inorg Chem Front, 2023
7QWN
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-01-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7TPB
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p120RasGAP SH3 domain in complex with DLC1 RhoGAP domain
分子名称: Ras GTPase-activating protein 1, Rho GTPase-activating protein 7
著者Stiegler, A.L, Boggon, T.J, Chau, J.E, Vish, K.J.
登録日2022-01-25
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献SH3 domain regulation of RhoGAP activity: Crosstalk between p120RasGAP and DLC1 RhoGAP.
Nat Commun, 13, 2022
7QWK
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GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2
分子名称: (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-25
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
7QW9
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BU of 7qw9 by Molmil
Cryo-EM structure of coxsackievirus A6 mature virion
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Buttner, C.R, Spurny, R, Fuzik, T, Plevka, P.
登録日2022-01-25
公開日2022-09-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-electron microscopy and image classification reveal the existence and structure of the coxsackievirus A6 virion.
Commun Biol, 5, 2022
7TPP
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BU of 7tpp by Molmil
Cryo-em structure of human prothrombin:prothrombinase at 4.1 Angstrom resolution
分子名称: Activated factor Xa heavy chain, Coagulation factor Va, Factor X light chain, ...
著者Di Cera, E, Ruben, E.A.
登録日2022-01-25
公開日2022-05-04
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of the prothrombin-prothrombinase complex.
Blood, 139, 2022
7TPQ
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Cryo-em structure of human prothrombinase on a nanodisc at 5.3 Angstrom resolution
分子名称: Activated factor Xa heavy chain, Coagulation factor Va, Factor X light chain
著者Di Cera, E, Ruben, E.A.
登録日2022-01-25
公開日2022-05-04
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Cryo-EM structure of the prothrombin-prothrombinase complex.
Blood, 139, 2022
7WQL
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BU of 7wql by Molmil
Bovin Beta-lactoglobulin binding with zinc ions
分子名称: Beta-lactoglobulin, ZINC ION
著者Li, T, Ma, J, Zang, J, Zhao, G, Zhang, T.
登録日2022-01-25
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
7WQG
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BU of 7wqg by Molmil
Bovin Alpha-lactalbumin binding with zinc ions
分子名称: Alpha-lactalbumin, ZINC ION
著者Li, T, Zhang, T.
登録日2022-01-25
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
7WPP
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BU of 7wpp by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 2.85 angstron resolution (1 unit)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPQ
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BU of 7wpq by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 3.27 angstron resolution (2 units)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.267 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WQ4
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BU of 7wq4 by Molmil
Galanin-bound galanin receptor 2 in complex with Gq
分子名称: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7WQ3
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Galanin-bound galanin receptor 1 in complex with Gi
分子名称: CHOLESTEROL, Galanin, Galanin receptor type 1, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7WPU
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BU of 7wpu by Molmil
The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid
分子名称: Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-24
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid
To Be Published
7QVY
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BU of 7qvy by Molmil
Cryo-EM structure of coxsackievirus A6 empty particle
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Buttner, C.R, Spurny, R, Fuzik, T, Plevka, P.
登録日2022-01-24
公開日2022-09-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Cryo-electron microscopy and image classification reveal the existence and structure of the coxsackievirus A6 virion.
Commun Biol, 5, 2022
7QVX
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BU of 7qvx by Molmil
Cryo-EM structure of coxsackievirus A6 altered particle
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Buttner, C.R, Spurny, R, Fuzik, T, Plevka, P.
登録日2022-01-24
公開日2022-09-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-electron microscopy and image classification reveal the existence and structure of the coxsackievirus A6 virion.
Commun Biol, 5, 2022
7WPW
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BU of 7wpw by Molmil
The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-24
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid
To Be Published
7WQ7
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BU of 7wq7 by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nonadecanoic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-24
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nonadecanoic acid
To Be Published
7WPG
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The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-23
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid
To Be Published
7TO5
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BU of 7to5 by Molmil
HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1]
分子名称: (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ...
著者Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
登録日2022-01-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
7TO6
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HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2]
分子名称: (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
登録日2022-01-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022

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