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8U1N
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BU of 8u1n by Molmil
Cryo-EM structure of the cross-linked HSP90 dimer (NTD-MD) in the semi-open state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, MAGNESIUM ION
Authors:Finci, L.I, Simanshu, D.K.
Deposit date:2023-09-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8U1L
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BU of 8u1l by Molmil
Cryo-EM structure of the RAF1-HSP90-CDC37 complex in the closed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, Hsp90 co-chaperone Cdc37, ...
Authors:Finci, L.I, Simanshu, D.K.
Deposit date:2023-09-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
6WJN
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BU of 6wjn by Molmil
SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-14
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
6WJD
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BU of 6wjd by Molmil
SA-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-13
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
6N7I
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BU of 6n7i by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (gp4(5)-DNA)
Descriptor: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-11-27
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N7T
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BU of 6n7t by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form III)
Descriptor: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-11-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N7S
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BU of 6n7s by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form II)
Descriptor: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-11-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N7N
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BU of 6n7n by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form I)
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase/helicase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-11-27
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N9W
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BU of 6n9w by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS2)
Descriptor: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6ANV
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BU of 6anv by Molmil
Crystal structure of anti-CRISPR protein AcrF1
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, H, Patel, D.J.
Deposit date:2017-08-14
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6ANW
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BU of 6anw by Molmil
Crystal structure of anti-CRISPR protein AcrF10
Descriptor: anti-CRISPR protein AcrF10
Authors:Yang, H, Patel, D.J.
Deposit date:2017-08-14
Release date:2017-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
2OBO
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BU of 2obo by Molmil
Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
Descriptor: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBQ
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BU of 2obq by Molmil
Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
Descriptor: Hepatitis C virus, ZINC ION
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC0
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BU of 2oc0 by Molmil
Structure of NS3 complexed with a ketoamide inhibitor SCh491762
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC1
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BU of 2oc1 by Molmil
Structure of the HCV NS3/4A Protease Inhibitor CVS4819
Descriptor: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC7
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BU of 2oc7 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC8
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BU of 2oc8 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
1JNK
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BU of 1jnk by Molmil
THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP
Descriptor: C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Xie, X, Su, M.S.-S.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
1F1J
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BU of 1f1j by Molmil
CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO
Descriptor: ACE-ASP-GLU-VAL-ASP-CHO, CASPASE-7 PROTEASE, SULFATE ION
Authors:Wei, Y, Charifson, P.S.
Deposit date:2000-05-19
Release date:2001-05-23
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structures of caspases-1, -3, -7 and -8 reveal the basis for substrate and inhibitor selectivity.
Chem.Biol., 7, 2000
2GVF
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BU of 2gvf by Molmil
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
Descriptor: (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ...
Authors:Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V.
Deposit date:2006-05-02
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
6TYI
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BU of 6tyi by Molmil
ExbB-ExbD complex in MSP1E3D1 nanodisc
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Biopolymer transport protein ExbB, ...
Authors:Celia, H, Botos, I, Jiang, J, Buchanan, S.K.
Deposit date:2019-08-09
Release date:2019-10-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the bacterial Ton motor subcomplex ExbB-ExbD provides information on structure and stoichiometry.
Commun Biol, 2, 2019
6UKO
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BU of 6uko by Molmil
Structure analysis of full-length mouse bcs1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Xia, D, Esser, L.
Deposit date:2019-10-05
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
6UKP
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BU of 6ukp by Molmil
Apo mBcs1
Descriptor: Mitochondrial chaperone BCS1
Authors:Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D.
Deposit date:2019-10-05
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
6UKS
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BU of 6uks by Molmil
ATPgammaS bound mBcs1
Descriptor: MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D.
Deposit date:2019-10-05
Release date:2020-02-05
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
6U1Y
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BU of 6u1y by Molmil
bcs1 AAA domain
Descriptor: MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Tang, W.K, Xia, D.
Deposit date:2019-08-17
Release date:2020-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020

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