7BZ5
 
 | | Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of B38, Light chain of B38, ... | | Authors: | Wu, Y, Qi, J, Gao, F. | | Deposit date: | 2020-04-26 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2.
Science, 368, 2020
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6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (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, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
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8FEF
 | | Structure of Mce1 transporter from Mycobacterium smegmatis (Map0) | | Descriptor: | ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ... | | Authors: | Chen, J, Bhabha, G, Ekiert, D.C. | | Deposit date: | 2022-12-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
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8FED
 | | Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1) | | Descriptor: | ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ... | | Authors: | Chen, J, Bhabha, G, Ekiert, D.C. | | Deposit date: | 2022-12-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
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8FEE
 | | Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2) | | Descriptor: | ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ... | | Authors: | Chen, J, Bhabha, G, Ekiert, D.C. | | Deposit date: | 2022-12-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
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3ASB
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3ASA
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8J6Z
 | | Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2) | | Descriptor: | (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, ... | | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
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8J7A
 | | Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1) | | Descriptor: | (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, ... | | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | | Deposit date: | 2023-04-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
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8J7B
 | | Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2) | | Descriptor: | (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, ... | | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | | Deposit date: | 2023-04-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
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3SMC
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3SMB
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6B3W
 | | 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 | | Descriptor: | 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, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | 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
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2NWG
 | | Structure of CXCL12:heparin disaccharide complex | | Descriptor: | 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 | | Authors: | Murphy, J.W, Cho, Y, Lolis, E. | | Deposit date: | 2006-11-14 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural and Functional Basis of CXCL12 (Stromal Cell-derived Factor-1{alpha}) Binding to Heparin
J.Biol.Chem., 282, 2007
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6LRM
 | | Crystal structure of PDE4D catalytic domain in complex with arctigenin | | Descriptor: | 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
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6C6R
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6C6N
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8OQ6
 | | CryoEM structure of human rho1 GABAA receptor apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | | Deposit date: | 2023-04-11 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
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7VFB
 | | the complex of SARS-CoV2 3cl and NB2B4 | | Descriptor: | 3C-like proteinase, nb2b4 | | Authors: | Geng, Y, Sun, Z.C, Wang, L. | | Deposit date: | 2021-09-11 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VFA
 | | the complex of SARS-CoV2 3CL and NB1A2 | | Descriptor: | 3C-like proteinase, NB1A2, SULFATE ION | | Authors: | Sun, Z.C, Wang, L, Geng, Y. | | Deposit date: | 2021-09-11 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3F4M
 | | Crystal structure of TIPE2 | | Descriptor: | CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2 | | Authors: | Zhang, X, Wang, J, Shi, Y. | | Deposit date: | 2008-11-01 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009
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5I8I
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7E49
 | | Crystal structure of MIF bound to compound10 | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Macrophage migration inhibitory factor | | Authors: | Fan, C.P, Guo, D.Y, Yang, L. | | Deposit date: | 2021-02-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.574 Å) | | Cite: | 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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7E47
 | | Crystal structure of compound 6 bound to MIF | | Descriptor: | (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 | | Authors: | Fan, C.P, Yang, L, Guo, D.Y. | | Deposit date: | 2021-02-10 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | 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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7E4C
 | | Crystal structure of MIF bound to compound11 | | Descriptor: | 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, ... | | Authors: | Fan, C.P, Guo, D.Y, Yang, L. | | Deposit date: | 2021-02-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | 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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