1E8L
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![BU of 1e8l by Molmil](/molmil-images/mine/1e8l) | 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
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6XWW
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6XXB
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6XWJ
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![BU of 6xwj by Molmil](/molmil-images/mine/6xwj) | 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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin. Nucleic Acids Res., 48, 2020
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6XXA
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8CLR
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![BU of 8clr by Molmil](/molmil-images/mine/8clr) | Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | Descriptor: | RNA hairpin with CUUG tetraloop | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | Deposit date: | 2023-02-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop. J.Am.Chem.Soc., 145, 2023
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4W9A
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![BU of 4w9a by Molmil](/molmil-images/mine/4w9a) | 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
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9EOW
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4W9B
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![BU of 4w9b by Molmil](/molmil-images/mine/4w9b) | 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
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4WIH
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![BU of 4wih by Molmil](/molmil-images/mine/4wih) | 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
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7QG7
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![BU of 7qg7 by Molmil](/molmil-images/mine/7qg7) | 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
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5GQS
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![BU of 5gqs by Molmil](/molmil-images/mine/5gqs) | NMR based solution structure of PTS system, galactitol-specific IIB component from methicillin resistant Staphylococcus aureus | Descriptor: | PTS galactitol transporter subunit IIB | Authors: | Wahab, A, Schwalbe, H, Shahid, M.F, Richter, C, Jonker, H.R.A. | Deposit date: | 2016-08-08 | Release date: | 2016-09-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR based solution structure of PTS system, galactitol-specific IIB component from methicillin resistant Staphylococcus aureus To Be Published
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1CFF
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![BU of 1cff by Molmil](/molmil-images/mine/1cff) | 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
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5I9Y
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![BU of 5i9y by Molmil](/molmil-images/mine/5i9y) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with dasatinib | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.228 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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2W0G
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8PH4
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![BU of 8ph4 by Molmil](/molmil-images/mine/8ph4) | 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
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5W72
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3POK
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![BU of 3pok by Molmil](/molmil-images/mine/3pok) | Interleukin-1-beta LBT L3 Mutant | Descriptor: | Interleukin-1 beta | Authors: | Barthelmes, K, Reynolds, A.M, Peisach, E, Jonker, H.R.A, DeNunzio, N.J, Allen, K.N, Imperiali, B, Schwalbe, H. | Deposit date: | 2010-11-22 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering encodable lanthanide-binding tags into loop regions of proteins. J.Am.Chem.Soc., 133, 2011
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6TQA
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![BU of 6tqa by Molmil](/molmil-images/mine/6tqa) | 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
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8Q5B
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4J23
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![BU of 4j23 by Molmil](/molmil-images/mine/4j23) | 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
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3RKF
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![BU of 3rkf by Molmil](/molmil-images/mine/3rkf) | Crystal structure of guanine riboswitch C61U/G37A double mutant bound to thio-guanine | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, COBALT HEXAMMINE(III), Guanine riboswitch | Authors: | Buck, J, Wacker, A, Warkentin, E, Woehnert, J, Wirmer-Bartoschek, J, Schwalbe, H. | Deposit date: | 2011-04-18 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Influence of ground-state structure and Mg2+ binding on folding kinetics of the guanine-sensing riboswitch aptamer domain. Nucleic Acids Res., 39, 2011
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5IA1
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![BU of 5ia1 by Molmil](/molmil-images/mine/5ia1) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054 | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.036 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5I9V
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![BU of 5i9v by Molmil](/molmil-images/mine/5i9v) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with AGS | Descriptor: | Ephrin type-A receptor 2, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.458 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5IA3
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![BU of 5ia3 by Molmil](/molmil-images/mine/5ia3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with PD173955 | Descriptor: | 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.788 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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