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6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
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
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
分子名称: De novo designed protein RO2_20
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
2M19
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BU of 2m19 by Molmil
Solution structure of the Haloferax volcanii HVO 2177 protein
分子名称: Molybdopterin converting factor subunit 1
著者Li, Y, Maciejewski, M.W, Martin, J, Jin, K, Zhang, Y, Lu, M, Maupin-Furlow, J.A, Hao, B.
登録日2012-11-21
公開日2013-08-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
6VLS
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BU of 6vls by Molmil
Structure of C-terminal fragment of Vip3A toxin
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Vip3Aa
著者Jiang, K, Zhang, Y, Chen, Z, Gao, X.
登録日2020-01-25
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Functional Insights into the C-terminal Fragment of Insecticidal Vip3A Toxin ofBacillus thuringiensis.
Toxins, 12, 2020
7NHE
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BU of 7nhe by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex
分子名称: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
著者Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
登録日2021-02-10
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
分子名称: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
著者Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
登録日2021-02-10
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
分子名称: Apelin 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Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
分子名称: Apelin 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Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
分子名称: Apelin 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Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
分子名称: NOS4, SULFATE ION, noscapine
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
分子名称: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
分子名称: GLAU4, SULFATE ION, glaucine
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
分子名称: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7NTH
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BU of 7nth by Molmil
Structure of TAK1 in complex with compound 54
分子名称: 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
登録日2021-03-09
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7NTI
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BU of 7nti by Molmil
Structure of TAK1 in complex with compound 22
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ...
著者Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
登録日2021-03-09
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
2B6B
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BU of 2b6b by Molmil
Cryo EM structure of Dengue complexed with CRD of DC-SIGN
分子名称: CD209 antigen, envelope glycoprotein
著者Pokidysheva, E, Zhang, Y, Battisti, A.J, Bator-Kelly, C.M, Chipman, P.R, Gregorio, G, Hendrickson, W.A, Kuhn, R.J, Rossmann, M.G.
登録日2005-09-30
公開日2006-03-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Cryo-EM reconstruction of dengue virus in complex with the carbohydrate recognition domain of DC-SIGN
Cell(Cambridge,Mass.), 124, 2006
3BGW
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BU of 3bgw by Molmil
The Structure Of A DnaB-Like Replicative Helicase And Its Interactions With Primase
分子名称: DNAB-Like Replicative Helicase
著者Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
登録日2007-11-27
公開日2007-12-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.91 Å)
主引用文献The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
3BH0
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BU of 3bh0 by Molmil
ATPase Domain of G40P
分子名称: DNAB-LIKE REPLICATIVE HELICASE
著者Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
登録日2007-11-27
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
7XTQ
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BU of 7xtq by Molmil
Cryo-EM structure of the R399-bound GPBAR-Gs complex
分子名称: G-protein coupled bile acid receptor 1, 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Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P.
登録日2022-05-17
公開日2022-07-06
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
3CIU
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BU of 3ciu by Molmil
Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic
分子名称: 5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Bhatt, V.S, Zhang, Y, Sun, G, Wang, P.G, Palmer, A.F.
登録日2008-03-11
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic
To be Published
2ISS
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BU of 2iss by Molmil
Structure of the PLP synthase Holoenzyme from Thermotoga maritima
分子名称: Glutamine amidotransferase subunit pdxT, PHOSPHATE ION, Pyridoxal biosynthesis lyase pdxS, ...
著者Zein, F, Zhang, Y, Kang, Y.N, Burns, K, Begley, T.P, Ealick, S.E.
登録日2006-10-18
公開日2007-01-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights into the Mechanism of the PLP Synthase Holoenzyme from Thermotoga maritima
Biochemistry, 45, 2006
8ID6
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Cryo-EM structure of the oleic acid bound GPR120-Gi complex
分子名称: Free fatty acid receptor 4, 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Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
登録日2023-02-12
公開日2023-03-15
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023

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