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4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
6Y79
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BU of 6y79 by Molmil
Cryo-EM structure of a respiratory complex I F89A mutant
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K.
Deposit date:2020-02-28
Release date:2020-10-28
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I.
Nat Commun, 11, 2020
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
7O71
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BU of 7o71 by Molmil
Cryo-EM structure of a respiratory complex I
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
7O6Y
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BU of 7o6y by Molmil
Cryo-EM structure of respiratory complex I under turnover
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
8UDG
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BU of 8udg by Molmil
S1V2-72 Fab bound to EHA2 from influenza B/Malaysia/2506/2004
Descriptor: Hemagglutinin, S1V2-72 heavy chain, S1V2-72 light chain
Authors:Finney, J, Kong, S, Walsh Jr, R.M, Harrison, S.C, Kelsoe, G.
Deposit date:2023-09-28
Release date:2023-11-15
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (4.98 Å)
Cite:Protective human antibodies against a conserved epitope in pre- and postfusion influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X3H
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BU of 8x3h by Molmil
Crystal structure of iron-bound recombinant ovotransferrin N-lobe at 0.93 angstrom resolution
Descriptor: CARBONATE ION, FE (III) ION, GLYCEROL, ...
Authors:Toyoda, M, Mikami, B, Mizutani, K.
Deposit date:2023-11-13
Release date:2023-12-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Crystal structure of iron-bound ovotransferrin N-lobe at atomic resolution
To Be Published
6KIQ
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BU of 6kiq by Molmil
Complex of yeast cytoplasmic dynein MTBD-High and MT with DTT
Descriptor: Alpha tubulin, Dynein heavy chain, cytoplasmic, ...
Authors:Komori, Y, Nishida, N, Shimada, I, Kikkawa, M.
Deposit date:2019-07-19
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis for two-way communication between dynein and microtubules.
Nat Commun, 11, 2020
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
Descriptor: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
Authors:Hare, S, Wang, J, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
5SAK
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BU of 5sak by Molmil
Endothiapepsin in complex with compound FU5-1
Descriptor: (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAQ
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BU of 5saq by Molmil
Endothiapepsin in complex with compound FU58-3
Descriptor: 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol, Endothiapepsin, GLYCEROL
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAR
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BU of 5sar by Molmil
Endothiapepsin in complex with compound FU290-1
Descriptor: (1,4-phenylene)bis(methylene) dicarbamimidothioate, Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAO
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BU of 5sao by Molmil
Endothiapepsin in complex with compound FU58-1
Descriptor: 1,2-ETHANEDIOL, 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine, Endothiapepsin, ...
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAL
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BU of 5sal by Molmil
Endothiapepsin in complex with compound FU5-2
Descriptor: (1Z)-1-imino-1H-isoindol-3-amine, DIMETHYL SULFOXIDE, Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAT
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BU of 5sat by Molmil
Endothiapepsin in complex with compound FU66-1
Descriptor: Endothiapepsin, GLYCEROL, N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAN
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BU of 5san by Molmil
Endothiapepsin in complex with compound FU5-4
Descriptor: (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide, Endothiapepsin, GLYCEROL
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAM
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BU of 5sam by Molmil
Endothiapepsin in complex with compound FU5-3
Descriptor: 3-amino-1H-isoindol-1-one, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAS
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BU of 5sas by Molmil
Endothiapepsin in complex with compound FU290-2
Descriptor: (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5SAP
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BU of 5sap by Molmil
Endothiapepsin in complex with compound FU58-2
Descriptor: (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide, 1,2-ETHANEDIOL, Endothiapepsin, ...
Authors:Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
Deposit date:2021-05-28
Release date:2021-09-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
6KIO
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BU of 6kio by Molmil
Complex of yeast cytoplasmic dynein MTBD-High and MT without DTT
Descriptor: Dynein heavy chain, cytoplasmic, Tubulin alpha-1A chain, ...
Authors:Komori, Y, Nishida, N, Shimada, I, Kikkawa, M.
Deposit date:2019-07-19
Release date:2020-03-04
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structural basis for two-way communication between dynein and microtubules.
Nat Commun, 11, 2020
7SQO
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BU of 7sqo by Molmil
Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:McGrath, A.P, Kang, Y, Flinspach, M.
Deposit date:2021-11-05
Release date:2022-05-25
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Hypocretin receptor type 2, ...
Authors:Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
Deposit date:2021-11-08
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7TRH
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BU of 7trh by Molmil
Human antibody K03.28 in complex with the influenza hemagglutinin head domain of A/California/07/2009(H1N1)(X-181)
Descriptor: Hemagglutinin, K03.28 Fab heavy chain, K03.28 Fab lambda light chain
Authors:McCarthy, K.R.
Deposit date:2022-01-28
Release date:2023-08-02
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:A new class of antibodies that overcomes a steric barrier to cross-group neutralization of influenza viruses.
Plos Biol., 21, 2023
7TRI
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BU of 7tri by Molmil
Human antibody S8V1-172 in complex with the influenza hemagglutinin head domain of A/Sydney/05/1997(H3N2)
Descriptor: Hemagglutinin, S8V1-172 Fab heavy chain, S8V1-172 Fab kappa light chain, ...
Authors:McCarthy, K.R.
Deposit date:2022-01-28
Release date:2023-08-02
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A new class of antibodies that overcomes a steric barrier to cross-group neutralization of influenza viruses.
Plos Biol., 21, 2023
3DPH
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BU of 3dph by Molmil
HIV-1 capsid C-terminal domain mutant (L211S)
Descriptor: HIV-1 CAPSID PROTEIN
Authors:Igonet, S, Vaney, M.C, Rey, F.A.
Deposit date:2008-07-08
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008

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PDB entries from 2024-08-07

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