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PDB: 612 results

3VBU
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Crystal structure of empty human Enterovirus 71 particle
Descriptor: Genome Polyprotein, capsid protein VP0, capsid protein VP1, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
9AYB
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Structure of Apo Sialin S61A mutant
Descriptor: Sialin
Authors:Schmiege, P, Li, X.
Deposit date:2024-03-07
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure of Apo Sialin S61A mutant
To Be Published
4CDQ
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2
Descriptor: 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ...
Authors:DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-05
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDX
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12
Descriptor: 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-07
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CEW
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BU of 4cew by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD
Descriptor: 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CEY
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD
Descriptor: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDW
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4
Descriptor: 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-06
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
6GQJ
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BU of 6gqj by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQO
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2
Authors:Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQM
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Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
Descriptor: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQK
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BU of 6gqk by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQP
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BU of 6gqp by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQL
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BU of 6gql by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQQ
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BU of 6gqq by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
4CDU
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BU of 4cdu by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
Descriptor: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-06
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
2VVZ
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BU of 2vvz by Molmil
Structure of the catalytic domain of Streptococcus pneumoniae sialidase NanA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, SIALIDASE A
Authors:Xu, G, Li, X, Andrew, P.W, Taylor, G.L.
Deposit date:2008-06-13
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Catalytic Domain of Streptococcus Pneumoniae Sialidase Nana.
Acta Crystallogr.,Sect.F, 64, 2008
8W4U
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BU of 8w4u by Molmil
human KCNQ2-CaM in complex with PIP2 and HN37
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-08-25
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
6AYF
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BU of 6ayf by Molmil
TRPML3/ML-SA1 complex at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-3
Authors:Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J.
Deposit date:2017-09-08
Release date:2017-11-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.
Nat. Struct. Mol. Biol., 24, 2017
6AYG
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BU of 6ayg by Molmil
Human Apo-TRPML3 channel at pH 4.8
Descriptor: Mucolipin-3
Authors:Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J.
Deposit date:2017-09-08
Release date:2017-11-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.65 Å)
Cite:Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.
Nat. Struct. Mol. Biol., 24, 2017
6AYE
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BU of 6aye by Molmil
Human apo-TRPML3 channel at pH 7.4
Descriptor: Mucolipin-3
Authors:Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J.
Deposit date:2017-09-08
Release date:2017-11-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.
Nat. Struct. Mol. Biol., 24, 2017
7R8E
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BU of 7r8e by Molmil
The structure of human ABCG1 E242Q complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R87
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BU of 7r87 by Molmil
The structure of human ABCG5-WT/ABCG8-I419E
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8C
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BU of 7r8c by Molmil
The structure of human ABCG1
Descriptor: Isoform 4 of ATP-binding cassette sub-family G member 1
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8D
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BU of 7r8d by Molmil
The structure of human ABCG1 E242Q with cholesterol
Descriptor: CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8B
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BU of 7r8b by Molmil
The structure of human ABCG5/ABCG8 supplemented with cholesterol
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021

221051

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