8R1V
 
 | | Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Yadrykhinsky, V, Brenk, R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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8R0I
 | | Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Yadrykhinsky, V, Brenk, R. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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8PJ0
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-06-22 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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7P27
 | | NMR solution structure of Chikungunya virus macro domain | | Descriptor: | Polyprotein P1234 | | Authors: | Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. | | Deposit date: | 2021-07-04 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | 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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1YGW
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4WZ7
 | | Crystal structure of mitochondrial NADH:ubiquinone oxidoreductase from Yarrowia lipolytica. | | Descriptor: | 39-kDa subunit, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Wirth, C, Zickermann, V, Brandt, U, Hunte, C. | | Deposit date: | 2014-11-18 | | Release date: | 2015-03-25 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural biology. Mechanistic insight from the crystal structure of mitochondrial complex I.
Science, 347, 2015
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2M56
 | | The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hiruma, Y, Hass, M.A.S, Ubbink, M. | | Deposit date: | 2013-02-14 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
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6ZQQ
 | | Structure of the Pmt3-MIR domain with bound ligands | | Descriptor: | GLYCEROL, PMT3 isoform 1 | | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | Deposit date: | 2020-07-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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6ZQP
 | | Structure of the Pmt2-MIR domain with bound ligands | | Descriptor: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | Deposit date: | 2020-07-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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2BS2
 | | QUINOL:FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Lancaster, C.R.D. | | Deposit date: | 2005-05-14 | | Release date: | 2006-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Evidence for Transmembrane Proton Transfer in a Dihaem-Containing Membrane Protein Complex.
Embo J., 25, 2006
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2BS3
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2BS4
 | | GLU C180 -> ILE VARIANT QUINOL:FUMARATE REDUCTASE FROMWOLINELLA SUCCINOGENES | | Descriptor: | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE, CITRIC ACID, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Lancaster, C.R.D. | | Deposit date: | 2005-05-14 | | Release date: | 2005-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Experimental Support for the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase
Proc.Natl.Acad.Sci.USA, 102, 2005
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6F3Y
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6F3X
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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2OJR
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2EWA
 | | Dual binding mode of pyridinylimidazole to MAP kinase p38 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 | | Authors: | Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N. | | Deposit date: | 2005-11-02 | | Release date: | 2006-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NMR characterization of kinase p38 dynamics in free and ligand-bound forms.
Angew.Chem.Int.Ed.Engl., 45, 2006
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5X1X
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8BM8
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-cyanophenyl)-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: | 2022-11-10 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | (placeholder, will be filled after publication)
To Be Published
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5M6Y
 | | Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2016-10-26 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.367 Å) | | Cite: | Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
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5M75
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5M71
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5M0C
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5M0L
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5M6V
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5M0U
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