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6R1V
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BU of 6r1v by Molmil
Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug
Descriptor: 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one, Sortase A
Authors:Jaudzems, K, Leonchiks, A.
Deposit date:2019-03-15
Release date:2020-01-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.
Acs Infect Dis., 6, 2020
2LPJ
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BU of 2lpj by Molmil
NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2
Descriptor: Major ampullate spidroin 1
Authors:Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S.D, Johansson, J.
Deposit date:2012-02-14
Release date:2012-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain.
J.Mol.Biol., 422, 2012
2MSN
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BU of 2msn by Molmil
NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4
Descriptor: Hydrolase, haloacid dehalogenase-like family
Authors:Jaudzems, K, Serrano, P, Pedrini, B, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-04
Release date:2014-09-24
Last modified:2015-04-22
Method:SOLUTION NMR
Cite:J-UNIO protocol used for NMR structure determination of the 206-residue protein NP_346487.1 from Streptococcus pneumoniae TIGR4.
J.Biomol.Nmr, 61, 2015
2MU1
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BU of 2mu1 by Molmil
NMR structure of the core domain of NP_346487.1, a putative phosphoglycolate phosphatase from Streptococcus pneumoniae TIGR4
Descriptor: Hydrolase, haloacid dehalogenase-like family
Authors:Jaudzems, K, Serrano, P, Pedrini, B, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-03
Release date:2014-10-01
Last modified:2015-12-23
Method:SOLUTION NMR
Cite:J-UNIO protocol used for NMR structure determination of the 206-residue protein NP_346487.1 from Streptococcus pneumoniae TIGR4.
J.Biomol.Nmr, 61, 2015
2MU2
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BU of 2mu2 by Molmil
NMR structure of the cap domain of NP_346487.1, a putative phosphoglycolate phosphatase from Streptococcus pneumoniae TIGR4
Descriptor: Hydrolase, haloacid dehalogenase-like family
Authors:Jaudzems, K, Serrano, P, Pedrini, B, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-03
Release date:2014-09-24
Last modified:2016-04-27
Method:SOLUTION NMR
Cite:J-UNIO protocol used for NMR structure determination of the 206-residue protein NP_346487.1 from Streptococcus pneumoniae TIGR4.
J.Biomol.Nmr, 61, 2015
2KYZ
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BU of 2kyz by Molmil
NMR structure of heavy metal binding protein TM0320 from Thermotoga maritima
Descriptor: Heavy metal binding protein
Authors:Jaudzems, K, Wahab, A, Serrano, P, Geralt, M, Wuthrich, K, Wilson, I.A, Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-09
Release date:2010-07-07
Last modified:2013-03-20
Method:SOLUTION NMR
Cite:NMR structure of heavy metal binding protein TM0320 from Thermotoga maritima
To be Published
2KLA
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BU of 2kla by Molmil
NMR STRUCTURE OF A PUTATIVE DINITROGENASE (MJ0327) FROM METHANOCOCCUS JANNASCHII
Descriptor: Uncharacterized protein MJ0327
Authors:Jaudzems, K, Mohanty, B, Geralt, M, Serrano, P, Wilson, I, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-30
Release date:2009-08-11
Last modified:2023-02-01
Method:SOLUTION NMR
Cite:NMR structure of the protein NP_247299.1: comparison with the crystal structure.
Acta Crystallogr.,Sect.F, 66, 2010
2LA7
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BU of 2la7 by Molmil
NMR structure of the protein YP_557733.1 from Burkholderia xenovorans
Descriptor: Uncharacterized protein
Authors:Jaudzems, K, Serrano, P, Michael, G, Reto, H, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2011-03-04
Release date:2011-03-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the protein YP_557733.1 from Burkholderia xenovorans
To be Published
2LPI
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BU of 2lpi by Molmil
NMR structure of a monomeric mutant (A72R) of major ampullate spidroin 1 N-terminal domain
Descriptor: Major ampullate spidroin 1
Authors:Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S.D, Johansson, J.
Deposit date:2012-02-14
Release date:2012-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain.
J.Mol.Biol., 422, 2012
2LRR
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BU of 2lrr by Molmil
Solution structure of the R3H domain from human Smubp-2 in complex with 2'-deoxyguanosine-5'-monophosphate
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-binding protein SMUBP-2
Authors:Jaudzems, K, Zhulenkovs, D, Otting, G, Liepinsh, E.
Deposit date:2012-04-12
Release date:2012-10-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Basis for 5'-End-Specific Recognition of Single-Stranded DNA by the R3H Domain from Human Smubp-2
J.Mol.Biol., 12, 2012
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
Descriptor: Coat protein
Authors:Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
Deposit date:2016-05-17
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
4CKU
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BU of 4cku by Molmil
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
Descriptor: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
Authors:Tars, K, Leitans, J, Jaudzems, K.
Deposit date:2014-01-08
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
2MLM
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BU of 2mlm by Molmil
Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor
Descriptor: N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide, Sortase family protein
Authors:Jaudzems, K, Zhulenkovs, D, Leonchiks, A.
Deposit date:2014-03-03
Release date:2014-11-19
Last modified:2018-06-27
Method:SOLUTION NMR
Cite:Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.
Bioorg.Med.Chem., 22, 2014
7Q6P
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BU of 7q6p by Molmil
Crystal Structure of bacterial Prolyl Peptidyl Isomerase with 5,5'-difluoroleucines
Descriptor: Peptidyl-prolyl cis-trans isomerase B, SULFATE ION
Authors:Tars, K, Jaudzems, K, Recacha, R.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of bacterial Prolyl Peptidyl Isomerase with 5,5'-difluoroleucines
To Be Published
7OOM
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BU of 7oom by Molmil
N-terminal domain of FlSp spidroin from Nephila clavipes
Descriptor: Flagelliform spidroin variant 1
Authors:Tars, K, Metlans, R, Fridmanis, J, Jaudzems, K.
Deposit date:2021-05-28
Release date:2022-06-08
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
4Y6M
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BU of 4y6m by Molmil
Structure of plasmepsin II from Plasmodium falciparum complexed with inhibitor PG418
Descriptor: GLYCEROL, Plasmepsin-2, ~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide
Authors:Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
Deposit date:2015-02-13
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
7A0I
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BU of 7a0i by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-09
Release date:2021-08-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
7A0O
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BU of 7a0o by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
6TV5
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BU of 6tv5 by Molmil
NMR structure of N-terminal domain from A. argentata tubuliform spidroin (TuSp) at pH 5.5
Descriptor: Tubuliform spidroin 1
Authors:Fridmanis, J, Jaudzems, K.
Deposit date:2020-01-09
Release date:2021-01-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of Tubuliform Spidroin N-Terminal Domain and Implications for pH Dependent Dimerization.
Front Mol Biosci, 9, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Descriptor: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
Authors:Bobrovs, R, Jaudzems, K.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
5BWY
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BU of 5bwy by Molmil
Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212
Descriptor: Plasmepsin-2
Authors:Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
Deposit date:2015-06-08
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr F Struct Biol Commun, 72, 2016
4YA8
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BU of 4ya8 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394
Descriptor: GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2
Authors:Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
Deposit date:2015-02-17
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
4Z22
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BU of 4z22 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
Descriptor: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2
Authors:Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
Deposit date:2015-03-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
5JXV
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BU of 5jxv by Molmil
Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1)
Descriptor: Immunoglobulin G-binding protein G
Authors:Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
Deposit date:2016-05-13
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JOD
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BU of 5jod by Molmil
Structure of proplasmepsin IV from Plasmodium falciparum
Descriptor: GLYCEROL, Proplasmepsin IV
Authors:Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016

 

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