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8B07
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BU of 8b07 by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with sinefungin
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, SINEFUNGIN
Authors:Silhan, J, Klima, M, Boura, E.
Deposit date:2022-09-07
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CGB
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BU of 8cgb by Molmil
Monkeypox virus VP39 in complex with SAH
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Silhan, J, Klima, M, Skvara, P, Boura, E.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8OIX
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BU of 8oix by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A
Descriptor: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ...
Authors:Silhan, J, Fajtova, P, Boura, E.
Deposit date:2023-03-23
Release date:2024-04-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural elucidation of recombinant Trichomonas vaginalis 20S proteasome bound to covalent inhibitors.
Nat Commun, 15, 2024
8P0T
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BU of 8p0t by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor CP-17
Descriptor: Family T1, proteasome alpha subunit, threonine peptidase, ...
Authors:Silhan, J, Boura, E, Fajtova, P.
Deposit date:2023-05-10
Release date:2024-05-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Structural elucidation of recombinant Trichomonas vaginalis 20S proteasome bound to covalent inhibitors.
Nat Commun, 15, 2024
6FK5
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BU of 6fk5 by Molmil
Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
6FKE
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BU of 6fke by Molmil
Structure of 3' phosphatase NExo (D146N) from Neisseria bound to product DNA hairpin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*A)-3'), Exodeoxyribonuclease III, ...
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
6FK4
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BU of 6fk4 by Molmil
Structure of 3' phosphatase NExo (WT) from Neisseria bound to DNA substrate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*GP*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), Exodeoxyribonuclease III
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
7Z5A
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BU of 7z5a by Molmil
Crystal structure of the trapped complex of mouse Endonuclease VIII-LIKE 3 (mNEIL3) and hairpin DNA with 5'overhang
Descriptor: DNA (5'-D(P*TP*TP*TP*(PED)P*AP*CP*GP*CP*GP*AP*AP*GP*CP*GP*TP*G)-3'), Endonuclease 8-like 3, ZINC ION
Authors:Silhan, J, Huskova, A.
Deposit date:2022-03-08
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model.
Nucleic Acids Res., 50, 2022
8CEV
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BU of 8cev by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CER
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BU of 8cer by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CEQ
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BU of 8ceq by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CES
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BU of 8ces by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CET
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BU of 8cet by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
6TC6
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BU of 6tc6 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: Formamidopyrimidine-DNA glycosylase, ZINC ION
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
6TC9
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BU of 6tc9 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: DNA, DNA containing abasic site analogue, Formamidopyrimidine-DNA glycosylase, ...
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
6YZ1
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BU of 6yz1 by Molmil
The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SINEFUNGIN, ZINC ION, ...
Authors:Krafcikova, P, Silhan, J, Nencka, R, Boura, E.
Deposit date:2020-05-06
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin.
Nat Commun, 11, 2020
7OMK
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BU of 7omk by Molmil
The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3)
Descriptor: Endonuclease 8-like 3
Authors:Dinesh, D.C, Huskova, A, Srb, P, Veverka, V, Silhan, J.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model.
Nucleic Acids Res., 50, 2022
8B9N
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BU of 8b9n by Molmil
Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
Descriptor: Endonuclease 8-like 3, ZINC ION, ssDNA with abasic site
Authors:Klima, M, Boura, E, Silhan, J.
Deposit date:2022-10-06
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
To Be Published
8OIV
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BU of 8oiv by Molmil
Monkeypox virus VP39 in complex with SAH and cap0
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E.
Deposit date:2023-03-23
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39.
Antiviral Res., 216, 2023
2X78
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BU of 2x78 by Molmil
Human foamy virus integrase - catalytic core.
Descriptor: INTEGRASE
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-24
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
2X74
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BU of 2x74 by Molmil
Human foamy virus integrase - catalytic core.
Descriptor: INTEGRASE
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-23
Release date:2010-08-11
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
2X6S
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BU of 2x6s by Molmil
Human foamy virus integrase - catalytic core. Magnesium-bound structure.
Descriptor: INTEGRASE, MAGNESIUM ION
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-19
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
2X6N
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BU of 2x6n by Molmil
Human foamy virus integrase - catalytic core. Manganese-bound structure.
Descriptor: INTEGRASE, MANGANESE (II) ION
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-18
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
4B5H
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BU of 4b5h by Molmil
Substate bound inactive mutant of Neisseria AP endonuclease in presence of metal ions
Descriptor: 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*CP*AP*TP*CP*GP)-3', MANGANESE (II) ION, ...
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5M
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BU of 4b5m by Molmil
Neisseria AP endonuclease bound to the substrate with a cytosine orphan base
Descriptor: 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*CP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ...
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-06
Release date:2012-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012

 

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