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5ZXK
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Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Duan, J, Li, Z, Li, J, Zhang, J.
登録日2018-08-05
公開日2019-08-07
最終更新日2019-08-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
8W89
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Cryo-EM structure of the PEA-bound TAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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Cryo-EM structure of the METH-TAAR1 complex
分子名称: (2S)-N-methyl-1-phenylpropan-2-amine, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8A
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BU of 8w8a by Molmil
Cryo-EM structure of the RO5256390-TAAR1 complex
分子名称: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W88
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Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8E81
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
分子名称: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E80
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
分子名称: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
分子名称: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
著者Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
8H41
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BU of 8h41 by Molmil
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
分子名称: MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase
著者Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X.
登録日2022-10-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-03-04
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-01-21
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8TJF
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BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
分子名称: Fab Lambda light chain, IgG1 Fab heavy chain
著者Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
登録日2023-07-21
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
8TI4
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BU of 8ti4 by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
分子名称: GLYCEROL, IgG1 Fab heavy chain, mutated to promote correct pairing, ...
著者Oganesyan, V.Y, van Dyk, N, Mazor, Y.
登録日2023-07-19
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
5XWZ
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BU of 5xwz by Molmil
Crystal structure of a lactonase from Cladophialophora bantiana
分子名称: GLYCEROL, MALONATE ION, SODIUM ION, ...
著者Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-06-30
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
2ROV
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BU of 2rov by Molmil
The split PH domain of ROCK II
分子名称: Rho-associated protein kinase 2
著者Wen, W, Zhang, M.
登録日2008-04-25
公開日2008-06-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The split PH domain of ROCK II
To be Published
2ROW
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BU of 2row by Molmil
The C1 domain of ROCK II
分子名称: Rho-associated protein kinase 2, ZINC ION
著者Wen, W, Zhang, M.
登録日2008-04-25
公開日2008-06-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The C1 domain of ROCK II
To be Published
5DDV
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BU of 5ddv by Molmil
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
5DDT
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Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6YQ0
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BU of 6yq0 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
分子名称: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
著者Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
登録日2020-04-16
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
8JNO
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Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
分子名称: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, Y.L, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JOO
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BU of 8joo by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
分子名称: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ...
著者Zhang, Y.L, Zhang, L.P, Zhang, C.S.
登録日2023-06-08
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNC
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BU of 8jnc by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
分子名称: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
著者Zhang, Y.L, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNQ
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Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
分子名称: (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Jiang, P, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023

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