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1E8L
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BU of 1e8l by Molmil
NMR solution structure of hen lysozyme
Descriptor: LYSOZYME
Authors:Schwalbe, H, Grimshaw, S.B, Spencer, A, Buck, M, Boyd, J, Dobson, C.M, Redfield, C, Smith, L.J.
Deposit date:2000-09-27
Release date:2000-10-09
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:A refined solution structure of hen lysozyme determined using residual dipolar coupling data.
Protein Sci., 10, 2001
6XWW
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BU of 6xww by Molmil
Constitutive decay element CDE1 from human 3'UTR
Descriptor: CDE1
Authors:Schwalbe, H, Binas, O.
Deposit date:2020-01-24
Release date:2020-05-27
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6XWJ
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BU of 6xwj by Molmil
Constitutive decay element CDE2 from human 3'UTR
Descriptor: RNA (5'-R(*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*C)-3')
Authors:Schwalbe, H, Binas, O.
Deposit date:2020-01-23
Release date:2020-05-27
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6XXB
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BU of 6xxb by Molmil
Constitutive decay element CDE1 from human 3'UTR
Descriptor: CDE1
Authors:Schwalbe, H, Binas, O.
Deposit date:2020-01-27
Release date:2020-05-27
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6XXA
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BU of 6xxa by Molmil
Constitutive decay element CDE2 from human 3'UTR
Descriptor: CDE2
Authors:Schwalbe, H, Binas, O.
Deposit date:2020-01-27
Release date:2020-05-27
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
8BOC
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BU of 8boc by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19
Descriptor: Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19
To Be Published
1CFF
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BU of 1cff by Molmil
NMR SOLUTION STRUCTURE OF A COMPLEX OF CALMODULIN WITH A BINDING PEPTIDE OF THE CA2+-PUMP
Descriptor: CALCIUM ION, CALCIUM PUMP, CALMODULIN
Authors:Elshorst, B, Hennig, M, Foersterling, H, Diener, A, Maurer, M, Schulte, P, Schwalbe, H, Krebs, J, Schmid, H, Vorherr, T, Carafoli, E, Griesinger, C.
Deposit date:1999-03-18
Release date:1999-09-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump.
Biochemistry, 38, 1999
4W9B
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BU of 4w9b by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1
Descriptor: Gamma-crystallin B
Authors:Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
Deposit date:2014-08-27
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
Descriptor: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
5W72
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BU of 5w72 by Molmil
Impact of IR active probes on PDZ3 and its ligand binding studied by NMR and X-ray crystallography
Descriptor: Disks large homolog 4
Authors:Lehner, F, Kudlinzki, D, Schwalbe, H, Silvers, R.
Deposit date:2017-06-19
Release date:2017-12-13
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding.
Chembiochem, 18, 2017
4J23
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BU of 4j23 by Molmil
Low resolution crystal structure of the FGFR2D2D3/FGF1/SR128545 complex
Descriptor: Fibroblast growth factor 1, Fibroblast growth factor receptor 2
Authors:Kudlinzki, D, Saxena, K, Sreeramulu, S, Schieborr, U, Dreyer, M, Schreuder, H, Schwalbe, H.
Deposit date:2013-02-04
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.882 Å)
Cite:Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling.
Cancer Cell, 23, 2013
8Q5B
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BU of 8q5b by Molmil
Characterization of the zinc finger u-protein HVO_0758 from Haloferax volcanii: biological roles, zinc binding, and NMR solution structure
Descriptor: Small CPxCG-related zinc finger protein
Authors:Pyper, D.J, Schwalbe, H.
Deposit date:2023-08-08
Release date:2023-12-27
Method:SOLUTION NMR
Cite:Characterization of the zinc finger mu-protein HVO_0758 from Haloferax volcanii : biological roles, zinc binding, and NMR solution structure.
Front Microbiol, 14, 2023
2W0G
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BU of 2w0g by Molmil
HSP90 CO-CHAPERONE CDC37
Descriptor: HSP90 CO-CHAPERONE CDC37
Authors:Sreeramulu, S, Jonker, H.R.A, Schwalbe, H, Lancaster, C.R.D.
Deposit date:2008-08-15
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Human Cdc37.Hsp90 Complex Studied by Heteronuclear NMR Spectroscopy.
J.Biol.Chem., 284, 2009
6TQA
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BU of 6tqa by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
8PH4
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BU of 8ph4 by Molmil
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ...
Authors:Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H.
Deposit date:2023-06-18
Release date:2024-01-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
4QE8
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BU of 4qe8 by Molmil
FXR with DM175 and NCoA-2 peptide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ...
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2014-05-15
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:FXR with DM175 and NCoA-2 peptide
To be Published
4QVK
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BU of 4qvk by Molmil
Apo-crystal structure of Podospora anserina methyltransferase PaMTH1
Descriptor: 1,2-ETHANEDIOL, PaMTH1 Methyltransferase
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2014-07-15
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4YMG
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BU of 4ymg by Molmil
Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ...
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2015-03-06
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
7QG7
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BU of 7qg7 by Molmil
SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3
Authors:Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H.
Deposit date:2021-12-07
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
4YMH
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BU of 4ymh by Molmil
Crystal structure of SAH-bound Podospora anserina methyltransferase PaMTH1
Descriptor: DI(HYDROXYETHYL)ETHER, Putative SAM-dependent O-methyltranferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2015-03-06
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4W9A
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BU of 4w9a by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2
Descriptor: Gamma-crystallin B
Authors:Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
Deposit date:2014-08-27
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
6F3V
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BU of 6f3v by Molmil
Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR
Descriptor: Bradykinin (BK)
Authors:Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C.
Deposit date:2017-11-29
Release date:2018-01-10
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
6F3W
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BU of 6f3w by Molmil
Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR
Descriptor: Kininogen-1
Authors:Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C.
Deposit date:2017-11-29
Release date:2018-01-10
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
5NK3
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BU of 5nk3 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.586 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017

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