PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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5UOJ	THE STRUCTURE OF THE MAP KINASE P38 AT 2.1 ANGSTROMS RESOLUTION Descriptor: Mitogen-activated protein kinase 14 Authors: CHLEBOWICZ, J, WANG, Z, GOLDSMITH, E.J. Deposit date: 2017-01-31 Release date: 2017-02-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The structure of mitogen-activated protein kinase p38 at 2.1-A resolution. Proc. Natl. Acad. Sci. U.S.A., 94, 1997
4N38	Structure of langerin CRD I313 D288 complexed with GlcNAc-beta1-3Gal-beta1-4GlcNAc-beta-CH2CH2N3 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, C-type lectin domain family 4 member K, CALCIUM ION, ... Authors: Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. Deposit date: 2013-10-06 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
5UOZ	Insulin with proline analog FyP at position B28 in the T2 state Descriptor: Insulin Chain A, Insulin Chain B Authors: Lieblich, S.A, Fang, K.Y, Tirrell, D.A. Deposit date: 2017-02-01 Release date: 2018-02-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.17463875 Å) Cite: Insulin with proline analog FyP at position B28 in the T2 state To Be Published
6LFH	X-ray crystal structure of chemically synthesized human lysozyme Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION Authors: Kar, A, Das, A, Mandal, K. Deposit date: 2019-12-02 Release date: 2020-07-08 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Efficient Chemical Protein Synthesis using Fmoc-Masked N-Terminal Cysteine in Peptide Thioester Segments. Angew.Chem.Int.Ed.Engl., 59, 2020
6A5I	Pseudocerastes Persicus Trypsin Inhibitor Descriptor: Trypsin Inhibitor Authors: Amininasab, M. Deposit date: 2018-06-23 Release date: 2019-05-01 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structural characterization of PPTI, a kunitz-type protein from the venom of Pseudocerastes persicus. PLoS ONE, 14, 2019
5UP3	Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure Descriptor: 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5 Authors: Dougan, D.R. Deposit date: 2017-02-01 Release date: 2017-06-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017
5V9L	KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Westover, K, Lu, J. Deposit date: 2017-03-23 Release date: 2017-08-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.981 Å) Cite: Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C. Cell Chem Biol, 24, 2017
7MK8	Crystal structure of a surface mutant of human fetal-specific CYP3A7 bound to dithiothreitol Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Isoform 2 of Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sevrioukova, I.F. Deposit date: 2021-04-21 Release date: 2021-06-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural Basis for the Diminished Ligand Binding and Catalytic Ability of Human Fetal-Specific CYP3A7. Int J Mol Sci, 22, 2021
8G3P	N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI9 Fab molecules Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Dang, H.V, Snell, G. Deposit date: 2023-02-08 Release date: 2023-05-31 Last modified: 2023-06-28 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: A pan-influenza antibody inhibiting neuraminidase via receptor mimicry. Nature, 618, 2023
4N5R	Hen egg-white lysozyme phased using free-electron laser data Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C Authors: Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. Deposit date: 2013-10-10 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: De novo protein crystal structure determination from X-ray free-electron laser data. Nature, 505, 2014
5UQW	Crystal structure of human KRAS G12V mutant in complex with GDP Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
6AC9	Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... Authors: Ngow, Y.S, Sreekanth, R, Yoon, H.S. Deposit date: 2018-07-25 Release date: 2018-12-26 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog. Protein Sci., 28, 2019
6L5W	Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. Deposit date: 2019-10-24 Release date: 2020-02-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
5VCG	Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sevrioukova, I. Deposit date: 2017-03-31 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
6EGY	Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ... Authors: Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. Deposit date: 2017-09-12 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem., 29, 2018
6EH3	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190 Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-09-12 Release date: 2018-10-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190 To be published
6AEX	Crystal structure of unoccupied murine uPAR Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor Authors: Min, L, Huang, M. Deposit date: 2018-08-06 Release date: 2019-07-17 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.393 Å) Cite: Crystal structure of the unoccupied murine urokinase-type plasminogen activator receptor (uPAR) reveals a tightly packed DII-DIII unit. Febs Lett., 593, 2019
7U4E	Neuraminidase from influenza virus A/Bilthoven/17938/1969(H3N2) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Lei, R, Hernandez Garcia, A. Deposit date: 2022-02-28 Release date: 2022-10-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase. Nat Commun, 13, 2022
6EI8	Crystal structure of human tRNA-dihydrouridine (20) synthase dsRBD F359A mutant Descriptor: SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like Authors: Bou-Nader, C, Pecqueur, L, Hamdane, D. Deposit date: 2017-09-18 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Conformational Stability Adaptation of a Double-Stranded RNA-Binding Domain to Transfer RNA Ligand. Biochemistry, 58, 2019
6LK0	Crystal structure of human wild type TRIP13 Descriptor: Pachytene checkpoint protein 2 homolog Authors: Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. Deposit date: 2019-12-17 Release date: 2020-01-22 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. Cancer Res., 80, 2020
6EIR	DYRK1A in complex with XMD15-27-2 Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide Authors: Rothweiler, U. Deposit date: 2017-09-19 Release date: 2018-08-29 Last modified: 2021-07-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
6LAV	MicroED structure of lysozyme at 1.73A determained using crystal lamellas prepared by focused ion beam milling Descriptor: ACETATE ION, Lysozyme C Authors: Zhou, H, Luo, Z, Li, X. Deposit date: 2019-11-13 Release date: 2019-11-27 Method: ELECTRON CRYSTALLOGRAPHY (1.73 Å) Cite: Using focus ion beam to prepare crystal lamella for electron diffraction. J. Struct. Biol., 205, 2019
4N36	Structure of langerin CRD I313 D288 complexed with Me-GlcNAc Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, MAGNESIUM ION, ... Authors: Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. Deposit date: 2013-10-06 Release date: 2013-11-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
7TUM	Multi-Hit SFX using MHz XFEL sources- first hit Descriptor: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION Authors: Darmanin, C, Holmes, S, Abbey, B. Deposit date: 2022-02-03 Release date: 2022-07-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.202 Å) Cite: Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
7U4F	Neuraminidase from influenza virus A/Moscow/10/1999(H3N2) Descriptor: CALCIUM ION, Neuraminidase, SULFATE ION, ... Authors: Lei, R, Hernandez Garcia, A. Deposit date: 2022-02-28 Release date: 2022-10-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase. Nat Commun, 13, 2022

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