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7BF1
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BU of 7bf1 by Molmil
Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode
Descriptor: ACETYL GROUP, CALCIUM ION, Calmodulin-1, ...
Authors:Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
Deposit date:2020-12-31
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
7BF2
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BU of 7bf2 by Molmil
Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode
Descriptor: CALCIUM ION, Calmodulin-1, Creatine kinase M-type
Authors:Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
Deposit date:2020-12-31
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
6ST6
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BU of 6st6 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant
Descriptor: ISOPROPYL ALCOHOL, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
Deposit date:2019-09-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6ST7
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BU of 6st7 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
Descriptor: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
Deposit date:2019-09-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
7OS9
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BU of 7os9 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with purification tag
Descriptor: IMIDAZOLE, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Lo Leggio, L, Von Wachenfeldt, C, Carey, J.
Deposit date:2021-06-08
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6HY1
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BU of 6hy1 by Molmil
Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
Authors:Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I.
Deposit date:2018-10-19
Release date:2019-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
To Be Published
6I1N
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BU of 6i1n by Molmil
Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, Spermidine synthase, ...
Authors:Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I.
Deposit date:2018-10-29
Release date:2019-11-20
Method:X-RAY DIFFRACTION (1.85000134 Å)
Cite:Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
To Be Published
4BP3
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BU of 4bp3 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
4BP1
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BU of 4bp1 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine
Descriptor: 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
4CWA
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BU of 4cwa by Molmil
Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2014-04-01
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4CXM
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BU of 4cxm by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE
Authors:Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2014-04-07
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4UOE
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BU of 4uoe by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L.
Deposit date:2014-06-03
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
7NFV
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BU of 7nfv by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
Deposit date:2021-02-07
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFU
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BU of 7ofu by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFS
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BU of 7ofs by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
Descriptor: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
2XOE
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BU of 2xoe by Molmil
Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form
Descriptor: ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T.
Deposit date:2010-08-14
Release date:2010-08-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
2XOD
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BU of 2xod by Molmil
Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form
Descriptor: CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ...
Authors:Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T.
Deposit date:2010-08-14
Release date:2010-08-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
7OFT
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BU of 7oft by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
8BSD
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BU of 8bsd by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with tubercidin
Descriptor: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
Authors:Kremling, V, Oberthuer, D, Sprenger, J.
Deposit date:2022-11-24
Release date:2022-12-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Tubercidin bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
8BZV
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BU of 8bzv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with adenosine
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2022-12-15
Release date:2023-01-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
8C5M
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BU of 8c5m by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Falke, S.
Deposit date:2023-01-09
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
8S8X
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BU of 8s8x by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8S8W
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BU of 8s8w by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EMJ
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BU of 9emj by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EML
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BU of 9eml by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published

 

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