PDB: 37044 resultsInfo pagesStatus searchChemie searchBIRD

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8OT5	Crystal structure of the titin domain Fn3-85 Descriptor: CHLORIDE ION, SODIUM ION, Titin Authors: Nikoopour, R, Rees, M, Gautel, M. Deposit date: 2023-04-20 Release date: 2023-08-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
8OIY	Crystal structure of the R15908H missense variant of titin domain Fn3-3 Descriptor: Titin Authors: Rees, M, Gautel, M. Deposit date: 2023-03-23 Release date: 2023-08-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
7M6C	Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox Descriptor: Basic phospholipase A2, LAURIC ACID Authors: Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D. Deposit date: 2021-03-25 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM Iucrj, 9, 2022
5ZJ3	Textilinin-1, A Kunitz-Type Serine Protease Inhibitor From pichia expression system Descriptor: Kunitz-type serine protease inhibitor textilinin-1 Authors: Ou, X.J, li, N. Deposit date: 2018-03-19 Release date: 2019-04-03 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Textilinin-1, A Kunitz-Type Serine Protease Inhibitor expressed from picha system by LIAONING GRAND NUOKANG BIOPHARMACEUTICAL CO.,LTD To Be Published
7MRO	Zebrafish CNTN4 FN1-FN3 domains Descriptor: Contactin-4 Authors: Bouyain, S, Karuppan, S.J. Deposit date: 2021-05-07 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface. J.Biol.Chem., 298, 2021
7MFZ	The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer Descriptor: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ... Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2021-04-12 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021
6MCU	Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2018-09-02 Release date: 2019-10-16 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.572 Å) Cite: Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
5LA5	Room temperature X-ray diffraction of tetragonal HEWL. Second data set (0.62 MGy) Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C Authors: Castellvi, A, Juanhuix, J. Deposit date: 2016-06-13 Release date: 2016-12-21 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat, 24, 2017
5LAR	Crystal structure of p38 alpha MAPK14 in complex with VPC00628 Descriptor: 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 Authors: Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2016-06-14 Release date: 2016-07-06 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library Medchemcomm, 7, 2016
8D6E	Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 Descriptor: (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... Authors: Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. Deposit date: 2022-06-06 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
7MFX	The Crystal Structure of Q108K:K40H:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with FR1 Chromophore Showing Excited State Intermolecular Proton Transfer Descriptor: (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine, GLYCEROL, Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2021-04-11 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021
7MFY	The Crystal Structure of Q108K:K40L:T51V:T53S:R58W:Y19W:A33W:L117E Mutant of HCRBPII Bound with LizFluor Descriptor: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, GLYCEROL, ... Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2021-04-12 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021
8D6D	Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 Descriptor: (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... Authors: Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. Deposit date: 2022-06-06 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
5KKS	ROCK 1 bound to azaindole thiazole inhibitor Descriptor: 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 Authors: Jacobs, M.D. Deposit date: 2016-06-22 Release date: 2017-06-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.3 Å) Cite: ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
8D6F	Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 Descriptor: (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION Authors: Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. Deposit date: 2022-06-06 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
5KL7	Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... Authors: Hashimoto, H, Cheng, X. Deposit date: 2016-06-23 Release date: 2016-09-14 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.579 Å) Cite: Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
5KKE	Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5 Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CHLORIDE ION, Cytochrome c iso-1, ... Authors: Bowler, B.E, Whitby, F.G. Deposit date: 2016-06-21 Release date: 2017-03-22 Last modified: 2021-03-10 Method: X-RAY DIFFRACTION (1.701 Å) Cite: Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons. J. Am. Chem. Soc., 138, 2016
7MP3	Grb7-SH2 domain in complex with bicyclic peptide B8 Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8 Authors: Colson, R, Wilce, M.C.J, Wilce, J.A. Deposit date: 2021-05-04 Release date: 2022-02-02 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability. Biomedicines, 10, 2022
7VEI	Neutron structure of D2O-solvent lysozyme Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION Authors: Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. Deposit date: 2021-09-08 Release date: 2022-04-06 Last modified: 2023-11-29 Method: NEUTRON DIFFRACTION (2 Å) Cite: Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
5KKK	1.7-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb-CO) at 100 K Descriptor: CARBON MONOXIDE, CHLORIDE ION, Myoglobin, ... Authors: Broecker, J, Ernst, O.P. Deposit date: 2016-06-21 Release date: 2017-02-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des, 16, 2016
8D6C	Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 Descriptor: (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... Authors: Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. Deposit date: 2022-06-06 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
5Z1C	The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 Descriptor: 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator Authors: Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. Deposit date: 2017-12-25 Release date: 2018-12-26 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
5KOT	Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor Descriptor: 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... Authors: Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. Deposit date: 2016-07-01 Release date: 2017-07-05 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
7MRI	Crystal structure of N63T yeast iso-1-cytochrome c Descriptor: Cytochrome c isoform 1, HEME C Authors: Lei, H, Bowler, B.E, Evenson, G.E. Deposit date: 2021-05-07 Release date: 2022-05-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.46 Å) Cite: Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c. J.Inorg.Biochem., 232, 2022
7MU7	Ask1 bound to compound 3 Descriptor: 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... Authors: Chodaparambil, J.V, Marcotte, D.J. Deposit date: 2021-05-14 Release date: 2022-05-18 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.298 Å) Cite: Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo To Be Published

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