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5VHG
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BU of 5vhg by Molmil
Crystal structure of pentad mutant GAPR-1
Descriptor: Golgi-associated plant pathogenesis-related protein 1, SULFATE ION
Authors:Li, Y, Zhao, Y, Su, M, Chakravarthy, S, Colbert, C.L, Levine, B, Sinha, S.C.
Deposit date:2017-04-13
Release date:2017-09-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural insights into the interaction of the conserved mammalian proteins GAPR-1 and Beclin 1, a key autophagy protein.
Acta Crystallogr D Struct Biol, 73, 2017
2ABO
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BU of 2abo by Molmil
NMR structure of gamma herpesvirus 68 a viral Bcl-2 homolog
Descriptor: bcl-2 homolog
Authors:Loh, J, Huang, Q, Petros, A.M, Nettesheim, D, van Dyk, L.F, Labrada, L, Speck, S.H, Levine, B, Olejniczak, E.T, Virgin, H.W.
Deposit date:2005-07-15
Release date:2006-05-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:A surface groove essential for viral Bcl-2 function during chronic infection in vivo.
Plos Pathog., 1, 2005
4W7T
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BU of 4w7t by Molmil
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
Descriptor: (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha
Authors:Bellamacina, C.R, Shafer, C.M, Bussiere, D.
Deposit date:2014-08-22
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
4U93
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BU of 4u93 by Molmil
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
Descriptor: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha
Authors:Bellamacina, C.R, Shafer, C.M, Bussiere, D.
Deposit date:2014-08-05
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
5CT7
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BU of 5ct7 by Molmil
BRAF in Complex with RAF265
Descriptor: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf
Authors:Appleton, B.A.
Deposit date:2015-07-23
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.
Acs Med.Chem.Lett., 6, 2015
6W4C
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BU of 6w4c by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
Descriptor: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Ferguson, A.D.
Deposit date:2020-03-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W45
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BU of 6w45 by Molmil
Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3
Descriptor: 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Ferguson, A.D.
Deposit date:2020-03-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W44
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BU of 6w44 by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4
Descriptor: 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Ferguson, A.D.
Deposit date:2020-03-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
5K9L
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BU of 5k9l by Molmil
Beclin 2 CCD N187L mutant homodimer
Descriptor: Beclin-2
Authors:Su, M, Sinha, S.
Deposit date:2016-06-01
Release date:2017-03-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
5K7B
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BU of 5k7b by Molmil
Beclin 2 CCD homodimer
Descriptor: Beclin-2
Authors:Su, M, Sinha, S.
Deposit date:2016-05-25
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
4MI8
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BU of 4mi8 by Molmil
Crystal structure of the complex of murine gamma-herpesvirus 68 Bcl-2 homolog M11 and a Beclin 1 BH3 domain-derived peptide
Descriptor: Bcl-2 homolog (Gene 16?), Beclin-1, SULFATE ION
Authors:Su, M, Mei, Y, Sinha, S.
Deposit date:2013-08-30
Release date:2014-01-29
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting gamma-herpesvirus 68 Bcl-2-mediated down-regulation of autophagy.
J.Biol.Chem., 289, 2014
8D3U
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BU of 8d3u by Molmil
Human alpha3 Na+/K+-ATPase in its Na+-occluded state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3Y
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BU of 8d3y by Molmil
Human alpha3 Na+/K+-ATPase in its exoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3W
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BU of 8d3w by Molmil
Human alpha3 Na+/K+-ATPase in its AMPPCP-bound cytoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sodium/potassium-transporting ATPase subunit alpha-3, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3X
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BU of 8d3x by Molmil
Human alpha3 Na+/K+-ATPase in its K+-occluded state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3V
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BU of 8d3v by Molmil
Human alpha3 Na+/K+-ATPase in its cytoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
3DVU
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BU of 3dvu by Molmil
Crystal structure of the complex of murine gamma-herpesvirus 68 Bcl-2 homolog M11 and the Beclin 1 BH3 domain
Descriptor: Beclin-1, V-bcl-2
Authors:Sinha, S.
Deposit date:2008-07-20
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the regulation of Beclin 1-dependent autophagy by the gamma-herpesvirus 68 Bcl-2 homolog M11.
Autophagy, 4, 2008

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PDB entries from 2024-03-27

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