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8GF3
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BU of 8gf3 by Molmil
Crystallographic structure from BlMan5_7
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Mannanase, ...
Authors:Briganti, L, Araujo, E.A, Polikarpov, I.
Deposit date:2023-03-07
Release date:2024-04-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Unravelling biochemical and structural features of Bacillus licheniformis GH5 mannanase using site-directed mutagenesis and high-resolution protein crystallography studies.
Int.J.Biol.Macromol., 274, 2024
8UWS
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BU of 8uws by Molmil
Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43
Descriptor: Beta-xylosidase, CALCIUM ION
Authors:Briganti, L, Godoy, A.S, Capetti, C.C.M, Portugal, R.V, Polikarpov, I.
Deposit date:2023-11-08
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43
To Be Published
7K1R
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BU of 7k1r by Molmil
X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
Descriptor: Beta xylosidase GH43, CALCIUM ION, GLYCEROL
Authors:Briganti, L, Capetti, C.C.M, Polikarpov, I.
Deposit date:2020-09-08
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
To Be Published
7KV0
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BU of 7kv0 by Molmil
Crystallographic structure of Paenibacillus xylanivorans GH11
Descriptor: 1,2-ETHANEDIOL, Endo-1,4-beta-xylanase
Authors:Briganti, L, Polikarpov, I.
Deposit date:2020-11-26
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase.
Comput Struct Biotechnol J, 19, 2021
8V23
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BU of 8v23 by Molmil
Crystal structure of HIV-1 capsid N-terminal domain in the presence of Lenacapavir
Descriptor: Capsid protein p24
Authors:Briganti, L, Kvaratskhelia, M.
Deposit date:2023-11-21
Release date:2025-01-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The primary mechanism for highly potent inhibition of HIV-1 maturation by lenacapavir.
Biorxiv, 2024
6WQW
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BU of 6wqw by Molmil
Thermobacillus composti GH10 xylanase
Descriptor: Beta-xylanase, beta-D-xylopyranose
Authors:Briganti, L, Polikarpov, I.
Deposit date:2020-04-29
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Transformation of xylan into value-added biocommodities using Thermobacillus composti GH10 xylanase.
Carbohydr Polym, 247, 2020
8GDV
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BU of 8gdv by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
Descriptor: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Briganti, L, Schope, L, Kvaratskhelia, M.
Deposit date:2023-03-06
Release date:2024-03-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
To Be Published
7L1W
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BU of 7l1w by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Exo-B-1,4-beta-xylanase
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
7L1Y
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BU of 7l1y by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex
Descriptor: 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
7L1Z
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BU of 7l1z by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium - NT-truncated form
Descriptor: 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, SULFATE ION
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8A1Q
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BU of 8a1q by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
8A1P
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BU of 8a1p by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
8T5B
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BU of 8t5b by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase, MAGNESIUM ION
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-02
Release date:2022-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7SNQ
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BU of 7snq by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
Descriptor: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-10-28
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Nat Commun, 13, 2022
7RJ4
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BU of 7rj4 by Molmil
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ2
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BU of 7rj2 by Molmil
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHM
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BU of 7rhm by Molmil
Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMJ
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BU of 7rmj by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-27
Release date:2022-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMM
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BU of 7rmm by Molmil
Structure of N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-27
Release date:2022-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022

 

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