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8FED
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BU of 8fed by Molmil
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
8FEE
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BU of 8fee by Molmil
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
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
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
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, 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:2023-09-27
Method:X-RAY DIFFRACTION (2.81 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
3SMC
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BU of 3smc by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-{4-[(R)-methylsulfinyl]butyl}thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
6L00
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BU of 6l00 by Molmil
Crystal structure of the cell-wall binding domain (CBD) of endolysin LysIME-EF1
Descriptor: Lysin
Authors:Ouyang, S.Y, Zhen, X.K.
Deposit date:2019-09-25
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional insights into a novel two-component endolysin encoded by a single gene in Enterococcus faecalis phage.
Plos Pathog., 16, 2020
6LKX
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BU of 6lkx by Molmil
The structure of PRRSV helicase
Descriptor: CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Shi, Y.J, Tong, X.H, Peng, G.Q.
Deposit date:2019-12-20
Release date:2020-05-27
Last modified:2021-06-09
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
8J6Z
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BU of 8j6z by Molmil
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
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)
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
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)
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
6C6P
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BU of 6c6p by Molmil
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
3F4M
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BU of 3f4m by Molmil
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
8SID
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BU of 8sid by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus dehydroepiandrosterone sulfate
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Legesse, D.H, Hibbs, R.E.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
8SI9
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BU of 8si9 by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus allopregnanolone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Legesse, D.H, Hibbs, R.E.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
4P01
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BU of 4p01 by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide
Descriptor: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-02-19
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4QNC
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BU of 4qnc by Molmil
Crystal structure of a SemiSWEET in an occluded state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, chemical transport protein
Authors:Yan, X, Yuyong, T, Liang, F, Perry, K.
Deposit date:2014-06-17
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
4QND
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BU of 4qnd by Molmil
Crystal structure of a SemiSWEET
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Chemical transport protein, ...
Authors:Yan, X, Yuyong, T, Liang, F, Perry, K.
Deposit date:2014-06-17
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
2NWG
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BU of 2nwg by Molmil
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
4PKZ
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BU of 4pkz by Molmil
Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-15
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4PLU
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BU of 4plu by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-19
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4TRF
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BU of 4trf by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-06-16
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4TRU
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BU of 4tru by Molmil
Crystal structure of Q24A Q25A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-06-17
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
5I8I
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BU of 5i8i by Molmil
Crystal Structure of the K. lactis Urea Amidolyase
Descriptor: Urea Amidolyase
Authors:Zhao, J, Xiang, S.
Deposit date:2016-02-19
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Structure and function of urea amidolyase.
Biosci. Rep., 38, 2018
5BSC
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BU of 5bsc by Molmil
Crystal structure of K66A mutant of human macrophage migration inhibitory factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-06-01
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015

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