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3U1N
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BU of 3u1n by Molmil
Structure of the catalytic core of human SAMHD1
Descriptor: PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION
Authors:Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A.
Deposit date:2011-09-30
Release date:2011-11-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
5CYY
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BU of 5cyy by Molmil
Structure of the C-terminal domains of DipZ from Mycobacterium tuberculosis
Descriptor: Protein DipZ
Authors:Goldstone, D.C, Metcalf, P, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2015-07-31
Release date:2016-01-13
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the ectodomain of the electron transporter Rv2874 from Mycobacterium tuberculosis reveals a thioredoxin-like domain combined with a carbohydrate-binding module.
Acta Crystallogr D Struct Biol, 72, 2016
2WTM
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BU of 2wtm by Molmil
Est1E from Butyrivibrio proteoclasticus
Descriptor: EST1E, GLYCEROL, PHOSPHATE ION
Authors:Goldstone, D.C, Arcus, V.L.
Deposit date:2009-09-17
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
2WTN
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BU of 2wtn by Molmil
Ferulic Acid bound to Est1E from Butyrivibrio proteoclasticus
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, EST1E, GLYCEROL, ...
Authors:Goldstone, D.C, Arcus, V.L.
Deposit date:2009-09-17
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
2XGV
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BU of 2xgv by Molmil
Structure of the N-terminal domain of capsid protein from Rabbit Endogenous Lentivirus (RELIK)
Descriptor: PSIV CAPSID N-TERMINAL DOMAIN
Authors:Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
Deposit date:2010-06-07
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
2XGU
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BU of 2xgu by Molmil
Structure of the N-terminal domain of capsid protein from Rabbit Endogenous Lentivirus (RELIK)
Descriptor: ACETATE ION, RELIK CAPSID N-TERMINAL DOMAIN
Authors:Goldstone, D.C, Taylor, I.A, Robertson, L.E, Haire, L.F, Stoye, J.P.
Deposit date:2010-06-07
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
2XGY
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BU of 2xgy by Molmil
Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A
Descriptor: GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, RELIK CAPSID N-TERMINAL DOMAIN
Authors:Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
Deposit date:2010-06-08
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
8TQP
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BU of 8tqp by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-08
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-04
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
4TN3
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BU of 4tn3 by Molmil
Structure of the BBox-Coiled-coil region of Rhesus Trim5alpha
Descriptor: TRIM5/cyclophilin A fusion protein/T4 Lysozyme chimera, ZINC ION
Authors:Kirkpatrick, J.J, Stoye, J.P, Taylor, I.A, Goldstone, D.C.
Deposit date:2014-06-03
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1989 Å)
Cite:Structural studies of postentry restriction factors reveal antiparallel dimers that enable avid binding to the HIV-1 capsid lattice.
Proc.Natl.Acad.Sci.USA, 111, 2014
6SA9
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BU of 6sa9 by Molmil
Endogenous Retrovirus HML2 Capsid NTD
Descriptor: Endogenous retrovirus group K member 9 Pol protein, GLYCEROL
Authors:Goldstone, D.C, Ball, N.J, Taylor, I.A.
Deposit date:2019-07-16
Release date:2020-01-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for Fullerene geometry in a human endogenous retrovirus capsid.
Nat Commun, 10, 2019
4JMR
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BU of 4jmr by Molmil
A unique spumavirus gag N-terminal domain with functional properties of orthoretroviral Matrix and Capsid
Descriptor: Env protein, Gag protein
Authors:Taylor, I.A, Goldstone, D.C, Flower, T.G, Ball, N.J.
Deposit date:2013-03-14
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Unique Spumavirus Gag N-terminal Domain with Functional Properties of Orthoretroviral Matrix and Capsid.
Plos Pathog., 9, 2013
4JNH
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BU of 4jnh by Molmil
A unique spumavirus gag N-terminal domain with functional properties of orthoretroviral Matrix and Capsid
Descriptor: Gag polyprotein
Authors:Taylor, I.A, Goldstone, D.C, Flower, T.G, Ball, N.J.
Deposit date:2013-03-15
Release date:2013-05-29
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:A Unique Spumavirus Gag N-terminal Domain with Functional Properties of Orthoretroviral Matrix and Capsid.
Plos Pathog., 9, 2013
2Y4Z
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BU of 2y4z by Molmil
Structure of the amino-terminal capsid restriction escape mutation N- MLV L10W
Descriptor: CAPSID PROTEIN P30, GLYCEROL
Authors:Goldstone, D.C, Holden-Dye, K, Ohkura, S, Stoye, J.P, Taylor, I.A.
Deposit date:2011-01-11
Release date:2011-11-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Novel Escape Mutants Suggest an Extensive Trim5Alpha Binding Site Spanning the Entire Outer Surface of the Murine Leukemia Virus Capsid Protein.
Plos Pathog., 7, 2011
5W9A
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BU of 5w9a by Molmil
The structure of the Trim5alpha Bbox- coiled coil in complex LC3B
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B, Tripartite motif-containing protein 5, ZINC ION
Authors:Keown, J.R, Goldstone, D.C.
Deposit date:2017-06-22
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:A helical LC3-interacting region mediates the interaction between the retroviral restriction factor Trim5 alpha and mammalian autophagy-related ATG8 proteins.
J. Biol. Chem., 293, 2018
5JCG
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BU of 5jcg by Molmil
Structure of Human Peroxiredoxin 3 as three stacked rings
Descriptor: Thioredoxin-dependent peroxide reductase, mitochondrial
Authors:Yewdall, N.A, Gerrard, J.A, Goldstone, D.C.
Deposit date:2016-04-15
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Human Peroxiredoxin 3 Suggest Self-Chaperoning Assembly that Maintains Catalytic State.
Structure, 24, 2016
5K3Q
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BU of 5k3q by Molmil
Rhesus macaques Trim5alpha Bbox2 domain
Descriptor: NITRATE ION, Tripartite motif-containing protein 5,Tripartite motif-containing protein 5, ZINC ION
Authors:Keown, J.K, Goldstone, D.C.
Deposit date:2016-05-19
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Trim5 alpha Bbox2 domain from rhesus macaques describes a plastic oligomerisation interface.
J.Struct.Biol., 195, 2016
5KJ9
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BU of 5kj9 by Molmil
Anticancer activity of Ru- and Os(arene) compounds of a maleimide-functionalized bioactive pyridinecarbothioamide ligand
Descriptor: Lysozyme C, RUTHENIUM ION, SODIUM ION
Authors:Sullivan, M.P, Christian, C.G, Goldstone, D.C.
Deposit date:2016-06-18
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Anticancer activity of Ru- and Os(arene) compounds of a maleimide-functionalized bioactive pyridinecarbothioamide ligand.
J. Inorg. Biochem., 165, 2016
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Descriptor: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-11-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
8EV5
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BU of 8ev5 by Molmil
NlpC B3 covalently bound with E64 inhibitor fragment
Descriptor: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase, ...
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-10-19
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:NlpC/P60 peptidoglycan hydrolases of Trichomonas vaginalis have complementary activities that empower the protozoan to control host-protective lactobacilli.
Plos Pathog., 19, 2023
8EV4
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BU of 8ev4 by Molmil
NlpC B3 - Trichomonas Vaginalis
Descriptor: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-10-19
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:NlpC/P60 peptidoglycan hydrolases of Trichomonas vaginalis have complementary activities that empower the protozoan to control host-protective lactobacilli.
Plos Pathog., 19, 2023
6WRM
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BU of 6wrm by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month
Descriptor: (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6WRL
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BU of 6wrl by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, Rhodium, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6WX5
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BU of 6wx5 by Molmil
Adducts formed after 3 weeks in the reaction of chlorido[chlorido(2,2'-((2-([2,2':6',2''-Terpyridin]-4'-yloxy)ethyl)azanediyl)bis(ethan-1-ol))platinum(II)] with HEWL
Descriptor: ACETATE ION, Lysozyme, PLATINUM (II) ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-05-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mustards-Derived Terpyridine-Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination.
Inorg.Chem., 60, 2021
6WGO
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BU of 6wgo by Molmil
The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, SODIUM ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-06
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021

 

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數據於2024-05-01公開中

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