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7O3C
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BU of 7o3c by Molmil
Murine supercomplex CIII2CIV in the mature unlocked conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O3E
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BU of 7o3e by Molmil
Murine supercomplex CIII2CIV in the intermediate locked conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O37
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BU of 7o37 by Molmil
Murine supercomplex CIII2CIV in the assembled locked conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O3H
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BU of 7o3h by Molmil
Murine CIII2 focus-refined from supercomplex CICIII2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
8RGP
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BU of 8rgp by Molmil
Closed Complex I from murine brain
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-12-14
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGQ
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BU of 8rgq by Molmil
Open Complex I from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-12-14
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGT
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BU of 8rgt by Molmil
Open Complex I from murine brain
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-12-14
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8PW6
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BU of 8pw6 by Molmil
C respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8PW5
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BU of 8pw5 by Molmil
CS respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8PW7
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BU of 8pw7 by Molmil
A respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGR
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BU of 8rgr by Molmil
Closed Complex I from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-12-14
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
1U89
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BU of 1u89 by Molmil
Solution structure of VBS2 fragment of talin
Descriptor: Talin 1
Authors:Fillingham, I, Gingras, A.R, Papagrigoriou, E, Patel, B, Emsley, J, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L.
Deposit date:2004-08-05
Release date:2005-01-18
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:A vinculin binding domain from the talin rod unfolds to form a complex with the vinculin head.
Structure, 13, 2005
1U6H
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BU of 1u6h by Molmil
Vinculin head (0-258) in complex with the talin vinculin binding site 2 (849-879)
Descriptor: Talin, Vinculin
Authors:Fillingham, I, Gingras, A.R, Papagrigoriou, E, Patel, B, Emsley, J, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L.
Deposit date:2004-07-30
Release date:2005-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A vinculin binding domain from the talin rod unfolds to form a complex with the vinculin head.
Structure, 13, 2005
2C1A
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BU of 2c1a by Molmil
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2C1B
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BU of 2c1b by Molmil
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Descriptor: (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
3PSU
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BU of 3psu by Molmil
HIV-1 protease in complex with an isobutyl decorated oligoamine (symmetric binding mode)
Descriptor: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Multiple binding modes of a symmetric inhibitor in HIV-1 protease
To be Published
3QBF
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BU of 3qbf by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-01-13
Release date:2012-01-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
3QRS
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BU of 3qrs by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-18
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
5O5K
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BU of 5o5k by Molmil
X-ray structure of a bacterial adenylyl cyclase soluble domain
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, MANGANESE (II) ION, ...
Authors:Vercellino, I, Korkhov, V.M.
Deposit date:2017-06-02
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Role of the nucleotidyl cyclase helical domain in catalytically active dimer formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5O5L
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BU of 5o5l by Molmil
X-ray structure of a bacterial adenylyl cyclase soluble domain, solved at cryogenic temperature
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, MANGANESE (II) ION, ...
Authors:Vercellino, I, Korkhov, V.M.
Deposit date:2017-06-02
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Role of the nucleotidyl cyclase helical domain in catalytically active dimer formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3S3J
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BU of 3s3j by Molmil
Transglutaminase 2 in complex with a novel inhibitor
Descriptor: GLYCEROL, Peptide inhibitor, Protein-glutamine gamma-glutamyltransferase 2, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-05-18
Release date:2012-06-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitors of Transglutaminase 2: A therapeutic option in celiac disease
To be Published
3QPJ
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BU of 3qpj by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, DITHIANE DIOL, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-14
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
3QIH
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BU of 3qih by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
Descriptor: (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-01-27
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Novel inhibitors for HIV-1 protease
To be Published
3QN8
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BU of 3qn8 by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
Descriptor: (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-08
Release date:2012-02-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.382 Å)
Cite:Novel inhibitors for HIV-1 protease
To be Published
3QP0
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BU of 3qp0 by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
Descriptor: (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-11
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel inhibitors for HIV-1 protease
To be Published

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