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7BZ5
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BU of 7bz5 by Molmil
Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of B38, Light chain of B38, ...
著者Wu, Y, Qi, J, Gao, F.
登録日2020-04-26
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2.
Science, 368, 2020
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
8FEF
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BU of 8fef by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEE
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BU of 8fee by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
3ASB
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BU of 3asb by Molmil
Crystal structure of PLP-bound LL-diaminopimelate aminotransferase from Chlamydia trachomatis
分子名称: LL-diaminopimelate aminotransferase
著者Watanabe, N, James, M.N.
登録日2010-12-10
公開日2011-08-31
最終更新日2020-04-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of ll-Diaminopimelate Aminotransferase from Chlamydia trachomatis: Implications for Its Broad Substrate Specificity.
J.Mol.Biol., 411, 2011
3ASA
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BU of 3asa by Molmil
Crystal structure of apo-LL-diaminopimelate aminotransferase from Chlamydia trachomatis
分子名称: LL-diaminopimelate aminotransferase
著者Watanabe, N, James, M.N.
登録日2010-12-10
公開日2011-08-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Structure of ll-Diaminopimelate Aminotransferase from Chlamydia trachomatis: Implications for Its Broad Substrate Specificity.
J.Mol.Biol., 411, 2011
8J6Z
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BU of 8j6z by Molmil
Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2)
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
登録日2023-04-26
公開日2023-11-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7A
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BU of 8j7a by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1)
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
登録日2023-04-27
公開日2023-11-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7B
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BU of 8j7b by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2)
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
登録日2023-04-27
公開日2023-11-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
3SMC
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BU of 3smc by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane
分子名称: CHLORIDE ION, Macrophage migration inhibitory factor, N-{4-[(R)-methylsulfinyl]butyl}thioformamide, ...
著者Crichlow, G.V, Lolis, E.J.
登録日2011-06-27
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
3SMB
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BU of 3smb by Molmil
Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF)
分子名称: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
著者Crichlow, G.V, Lolis, E.J.
登録日2011-06-27
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
2NWG
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BU of 2nwg by Molmil
Structure of CXCL12:heparin disaccharide complex
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Stromal cell-derived factor 1
著者Murphy, J.W, Cho, Y, Lolis, E.
登録日2006-11-14
公開日2007-02-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural and Functional Basis of CXCL12 (Stromal Cell-derived Factor-1{alpha}) Binding to Heparin
J.Biol.Chem., 282, 2007
6LRM
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BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
分子名称: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
著者Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2020-01-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
8OQ6
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BU of 8oq6 by Molmil
CryoEM structure of human rho1 GABAA receptor apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
著者Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E.
登録日2023-04-11
公開日2023-08-30
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
7VFB
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BU of 7vfb by Molmil
the complex of SARS-CoV2 3cl and NB2B4
分子名称: 3C-like proteinase, nb2b4
著者Geng, Y, Sun, Z.C, Wang, L.
登録日2021-09-11
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VFA
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BU of 7vfa by Molmil
the complex of SARS-CoV2 3CL and NB1A2
分子名称: 3C-like proteinase, NB1A2, SULFATE ION
著者Sun, Z.C, Wang, L, Geng, Y.
登録日2021-09-11
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
分子名称: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
著者Zhang, X, Wang, J, Shi, Y.
登録日2008-11-01
公開日2009-03-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009
5I8I
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BU of 5i8i by Molmil
Crystal Structure of the K. lactis Urea Amidolyase
分子名称: Urea Amidolyase
著者Zhao, J, Xiang, S.
登録日2016-02-19
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献Structure and function of urea amidolyase.
Biosci. Rep., 38, 2018
7E49
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BU of 7e49 by Molmil
Crystal structure of MIF bound to compound10
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Macrophage migration inhibitory factor
著者Fan, C.P, Guo, D.Y, Yang, L.
登録日2021-02-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.574 Å)
主引用文献Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
7E47
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BU of 7e47 by Molmil
Crystal structure of compound 6 bound to MIF
分子名称: (2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Macrophage migration inhibitory factor
著者Fan, C.P, Yang, L, Guo, D.Y.
登録日2021-02-10
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
7E4C
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BU of 7e4c by Molmil
Crystal structure of MIF bound to compound11
分子名称: 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CHLORIDE ION, Macrophage migration inhibitory factor, ...
著者Fan, C.P, Guo, D.Y, Yang, L.
登録日2021-02-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021

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件を2024-08-07に公開中

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