4US8
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![BU of 4us8 by Molmil](/molmil-images/mine/4us8) | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | Deposit date: | 2014-07-03 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction. J.Biol.Inorg.Chem., 20, 2015
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6K4V
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![BU of 6k4v by Molmil](/molmil-images/mine/6k4v) | The solution structure of the smart chimeric peptide G6 | Descriptor: | smart chimeric peptide G6 | Authors: | Wang, J.H, Liu, X.H. | Deposit date: | 2019-05-27 | Release date: | 2019-06-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli. Commun Biol, 3, 2020
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6K4W
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![BU of 6k4w by Molmil](/molmil-images/mine/6k4w) | smart chimeric peptide SCP-A6 | Descriptor: | SCP-A6 | Authors: | Wang, J.H, Liu, X.H. | Deposit date: | 2019-05-27 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli. Commun Biol, 3, 2020
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7YGV
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![BU of 7ygv by Molmil](/molmil-images/mine/7ygv) | Crystal structure of the Ca2+-bound EFhd1/Swiprosin-2 | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ... | Authors: | Mun, S.A, Park, J, Kang, J.Y, Park, T, Jin, M, Ynag, J, Eom, S.H. | Deposit date: | 2022-07-12 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and biochemical insights into Zn 2+ -bound EF-hand proteins, EFhd1 and EFhd2. Iucrj, 10, 2023
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6KYB
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![BU of 6kyb by Molmil](/molmil-images/mine/6kyb) | Crystal structure of Atg18 from Saccharomyces cerevisiae | Descriptor: | Autophagy-related protein 18 | Authors: | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | Deposit date: | 2019-09-17 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae. Cell.Mol.Life Sci., 78, 2021
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1MHQ
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![BU of 1mhq by Molmil](/molmil-images/mine/1mhq) | Crystal Structure Of Human GGA2 VHS Domain | Descriptor: | ADP-ribosylation factor binding protein GGA2 | Authors: | Zhu, G, Zhang, X.C. | Deposit date: | 2002-08-20 | Release date: | 2003-03-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of GGA2 VHS domain and its implication in plasticity in the ligand binding pocket FEBS LETT., 537, 2003
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7LG8
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![BU of 7lg8 by Molmil](/molmil-images/mine/7lg8) | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2021-01-19 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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7LTX
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![BU of 7ltx by Molmil](/molmil-images/mine/7ltx) | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | Descriptor: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2021-02-20 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC. Bioorg.Med.Chem.Lett., 68, 2022
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8EA8
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![BU of 8ea8 by Molmil](/molmil-images/mine/8ea8) | NKG2D complexed with inhibitor 4a | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA7
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![BU of 8ea7 by Molmil](/molmil-images/mine/8ea7) | NKG2D complexed with inhibitor 3g | Descriptor: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R8D
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![BU of 7r8d by Molmil](/molmil-images/mine/7r8d) | 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
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7R8A
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![BU of 7r8a by Molmil](/molmil-images/mine/7r8a) | The structure of human ABCG5/ABCG8 purified from mammalian cells | 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 (2.9 Å) | Cite: | Molecular basis of cholesterol efflux via ABCG subfamily transporters. Proc.Natl.Acad.Sci.USA, 118, 2021
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8EA5
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![BU of 8ea5 by Molmil](/molmil-images/mine/8ea5) | NKG2D complexed with inhibitor 1a | Descriptor: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA9
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![BU of 8ea9 by Molmil](/molmil-images/mine/8ea9) | NKG2D complexed with inhibitor 4d | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
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![BU of 8eab by Molmil](/molmil-images/mine/8eab) | NKG2D complexed with inhibitor 4f | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R8B
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![BU of 7r8b by Molmil](/molmil-images/mine/7r8b) | 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
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7R88
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![BU of 7r88 by Molmil](/molmil-images/mine/7r88) | The structure of human ABCG5-I529W/ABCG8-WT | 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 (3.5 Å) | Cite: | Molecular basis of cholesterol efflux via ABCG subfamily transporters. Proc.Natl.Acad.Sci.USA, 118, 2021
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7R8E
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![BU of 7r8e by Molmil](/molmil-images/mine/7r8e) | 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
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8EA6
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![BU of 8ea6 by Molmil](/molmil-images/mine/8ea6) | NKG2D complexed with inhibitor 3e | Descriptor: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R89
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![BU of 7r89 by Molmil](/molmil-images/mine/7r89) | The structure of human ABCG5/ABCG8 purified from yeast | 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 (2.6 Å) | Cite: | Molecular basis of cholesterol efflux via ABCG subfamily transporters. Proc.Natl.Acad.Sci.USA, 118, 2021
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8EAA
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![BU of 8eaa by Molmil](/molmil-images/mine/8eaa) | NKG2D complexed with inhibitor 4e | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R87
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![BU of 7r87 by Molmil](/molmil-images/mine/7r87) | 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
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7R8C
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![BU of 7r8c by Molmil](/molmil-images/mine/7r8c) | 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
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7Y8G
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![BU of 7y8g by Molmil](/molmil-images/mine/7y8g) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8F
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![BU of 7y8f by Molmil](/molmil-images/mine/7y8f) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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