PDB: 37044 resultsInfo pagesStatus searchChemie searchBIRD

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4ZNX	Crystal structure of the Fyn-SH3 domain in complex with the high affinity peptide APP12 Descriptor: APP12, Tyrosine-protein kinase Fyn Authors: Camara-Artigas, A. Deposit date: 2015-05-05 Release date: 2016-06-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The role of water molecules in the binding of class I and II peptides to the SH3 domain of the Fyn tyrosine kinase. Acta Crystallogr.,Sect.F, 72, 2016
6RUG	Co-substituted alpha-Keggin bound to Proteinase K solved by MR Descriptor: Co-substituted alpha-Keggin, Proteinase K, SULFATE ION Authors: Breibeck, J, Bijelic, A, Rompel, A. Deposit date: 2019-05-28 Release date: 2019-09-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization. Chem.Commun.(Camb.), 55, 2019
5T1U	Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality Descriptor: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... Authors: Parris, K.D, Vajdos, F. Deposit date: 2016-08-22 Release date: 2017-01-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
5T1H	Crystal structure of CK2 Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... Authors: Feguson, A.D. Deposit date: 2016-08-19 Release date: 2017-11-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Crystal structure of CK2 To Be Published
6RUN	Co-substituted alpha-Keggin bound to Proteinase K solved by EP Descriptor: Co-substituted alpha-Keggin, Proteinase K, SULFATE ION Authors: Breibeck, J, Bijelic, A, Rompel, A. Deposit date: 2019-05-28 Release date: 2019-09-18 Last modified: 2019-11-20 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization. Chem.Commun.(Camb.), 55, 2019
4ZJA	Small heat shock protein AgsA from Salmonella typhimurium: C-terminal truncated construct Descriptor: Aggregation suppressing protein Authors: Mani, N, Suguna, K. Deposit date: 2015-04-29 Release date: 2016-04-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (4.101 Å) Cite: Multiple oligomeric structures of a bacterial small heat shock protein Sci Rep, 6, 2016
7PVT	Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12 Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Tyrosine-protein kinase transforming protein Src, ... Authors: Camara-Artigas, A, Salinas-Garcia, M.C. Deposit date: 2021-10-05 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12 To be published
4P65	Crystal structure of an cyclohexylalanine substituted insulin analog. Descriptor: CHLORIDE ION, Insulin, PHENOL, ... Authors: Pandyarajan, V, Wan, Z, Weiss, M.A. Deposit date: 2014-03-21 Release date: 2014-10-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Aromatic Anchor at an Invariant Hormone-Receptor Interface: FUNCTION OF INSULIN RESIDUE B24 WITH APPLICATION TO PROTEIN DESIGN. J.Biol.Chem., 289, 2014
5T31	Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta Authors: Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. Deposit date: 2016-08-24 Release date: 2018-02-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
5T3H	bovine trypsin soaked with selenourea for 5 min Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Luo, Z, Dauter, Z. Deposit date: 2016-08-25 Release date: 2016-11-30 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures. Sci Rep, 6, 2016
7PW0	Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant Descriptor: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src Authors: Camara-Artigas, A, Salinas Garcia, M.C. Deposit date: 2021-10-05 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
6G93	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
5T3N	Sp-2Cl-cAMPS bound to PKAR CBD2 Descriptor: (2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, IODIDE ION, cAMP-dependent protein kinase regulatory subunit Authors: Littler, D.R, Gilson, P. Deposit date: 2016-08-26 Release date: 2016-10-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit. J. Biol. Chem., 291, 2016
6G9J	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
5T2Z	Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with Darunavir Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease Authors: Agniswamy, J, Weber, I.T. Deposit date: 2016-08-24 Release date: 2017-01-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. PLoS ONE, 11, 2016
4YXR	CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. Descriptor: 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha Authors: Schiffer, A, Wendt, K.U. Deposit date: 2015-03-23 Release date: 2015-05-27 Last modified: 2015-06-03 Method: X-RAY DIFFRACTION (2 Å) Cite: A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
4YXS	CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 Descriptor: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha Authors: Schiffer, A, Wendt, K.U. Deposit date: 2015-03-23 Release date: 2015-05-20 Last modified: 2015-06-03 Method: X-RAY DIFFRACTION (2.11 Å) Cite: A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
7PVW	Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant Descriptor: ACETATE ION, Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, TETRAETHYLENE GLYCOL Authors: Camara-Artigas, A, Salinas Garcia, M.C. Deposit date: 2021-10-05 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
7PVY	Crystal structure of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant Descriptor: Isoform 2 of Proto-oncogene tyrosine-protein kinase Src Authors: Camara-Artigas, A, Salinas Garcia, M.C. Deposit date: 2021-10-05 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
6RZP	Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ... Authors: Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. Deposit date: 2019-06-13 Release date: 2019-07-17 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
7PSX	Structure of HOXB13 bound to hydroxymethylated DNA Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... Authors: Morgunova, E, Popov, A, Yin, Y, Taipale, J. Deposit date: 2021-09-24 Release date: 2022-10-05 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of HOXB13 bound to hydroxymethylated DNA To Be Published
5SY2	Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... Authors: Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. Deposit date: 2016-08-10 Release date: 2016-11-02 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
7PRJ	Factor XII Fibronectin type II (FXII FnII) domain Descriptor: Coagulation factor XII, ZINC ION Authors: Kaira, B.G, Emsley, J. Deposit date: 2021-09-21 Release date: 2022-10-05 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Factor XII Fibronectin type II (FXII FnII) domain To Be Published
5T4M	Crystal Structure of Human Protocadherin-15 EC3-5 Descriptor: CALCIUM ION, CHLORIDE ION, Protocadherin-15 Authors: Powers, R.E, Gaudet, R, Sotomayor, M. Deposit date: 2016-08-29 Release date: 2017-02-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.24 Å) Cite: A Partial Calcium-Free Linker Confers Flexibility to Inner-Ear Protocadherin-15. Structure, 25, 2017
4LZV	Bovine beta-lactoglobulin crystallized in the presence of 20 mM zinc chloride Descriptor: Beta-lactoglobulin, ZINC ION Authors: Oelker, M, Zocher, G, Stehle, T. Deposit date: 2013-08-01 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Non-Classical Pathways of Protein Crystallization in the Presence of Multivalent Metal Ions To be Published

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