PDB: 37044 resultsInfo pagesStatus searchChemie searchBIRD

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7R9T	Crystal structure of HPK1 in complex with compound 17 Descriptor: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase Authors: Wu, P, Lehoux, I, Wang, W. Deposit date: 2021-06-29 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
4OKF	RNase S in complex with an artificial peptide Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION Authors: Genz, M, Strater, N. Deposit date: 2014-01-22 Release date: 2015-03-04 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.54 Å) Cite: X-ray structure of a RNase S variant in complex with an artificial peptide To be Published
7R9N	Crystal structure of HPK1 in complex with GNE1858 Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... Authors: Wu, P, Lehoux, I, Wang, W. Deposit date: 2021-06-29 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
6EIS	DYRK1A in complex with JWC-055 Descriptor: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Rothweiler, U. Deposit date: 2017-09-19 Release date: 2018-08-29 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.36 Å) Cite: Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
7RJI	BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid Descriptor: BthTX-IIb, SODIUM ION, STEARIC ACID, ... Authors: Borges, R.J, Fontes, M.R.M. Deposit date: 2021-07-21 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.71 Å) Cite: BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
7RJZ	BthTX-II variant a, from Bothrops jararacussu venom, complexed with benzoic acid Descriptor: BENZOIC ACID, BthTX-IIa Authors: Borges, R.J, Fontes, M.R.M. Deposit date: 2021-07-21 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
6RX7	Structure of the KIV type 2 (KIV-2) domain of lipoprotein (a) Descriptor: Apolipoprotein(a), GLYCEROL, SULFATE ION Authors: Santonastaso, A, Maggi, M, Scotti, C. Deposit date: 2019-06-07 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.63 Å) Cite: High resolution structure of human apolipoprotein (a) kringle IV type 2: beyond the lysine binding site. J.Lipid Res., 61, 2020
6EKG	Crystal structure of an archaeal CheY from Methanoccocus maripaludis Descriptor: Chemotaxis protein CheY, MAGNESIUM ION Authors: Altegoer, F, Bange, G. Deposit date: 2017-09-26 Release date: 2018-01-31 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Structure and function of the archaeal response regulator CheY. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4OOD	Structure of K42Y mutant of sperm whale myoglobin Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Lebioda, L, Wang, C, Lovelace, L.L. Deposit date: 2014-01-31 Release date: 2014-11-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Structures of K42N and K42Y sperm whale myoglobins point to an inhibitory role of distal water in peroxidase activity. Acta Crystallogr.,Sect.D, 70, 2014
6EOC	Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) Descriptor: 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION Authors: Yan, Y, Preissler, S, Ron, D, Read, R.J. Deposit date: 2017-10-09 Release date: 2017-11-01 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.67 Å) Cite: AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
6ER7	CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI Descriptor: 120aa long hypothetical chemotaxis protein (CheY) Authors: Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. Deposit date: 2017-10-17 Release date: 2018-10-31 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. Acta Crystallogr.,Sect.F, 75, 2019
6RZQ	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ANP-PnP bound state Descriptor: GLYCEROL, Heat shock protein 70, MAGNESIUM ION, ... Authors: Vakonakis, I, Day, J. Deposit date: 2019-06-13 Release date: 2019-10-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.81 Å) Cite: ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite. Faseb J., 33, 2019
4ORS	Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form Descriptor: Prostaglandin-H2 D-isomerase, SULFATE ION Authors: Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. Deposit date: 2014-02-12 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.4 Å) Cite: High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
4OS5	Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2) Descriptor: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2) Authors: Chen, S, Pojer, F, Heinis, C. Deposit date: 2014-02-12 Release date: 2014-09-24 Last modified: 2021-06-02 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
6ERU	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120 Descriptor: UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-19 Release date: 2018-10-31 Last modified: 2020-07-01 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
4OXB	Structure of ECP with sulphate anions at 1.50 Angstroms Descriptor: Eosinophil cationic protein, SULFATE ION Authors: Blanco, J.A, Boix, E, Moussaoui, M. Deposit date: 2014-02-05 Release date: 2015-03-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of ECP at 1.50 with sulphate anions at 1.50 Angstroms To be published
6E5W	Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) Descriptor: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 Authors: Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. Deposit date: 2018-07-23 Release date: 2019-02-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
4XVQ	H-Ras Y137E Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ... Authors: Johnson, C.W, Mattos, C. Deposit date: 2015-01-27 Release date: 2015-06-17 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.887 Å) Cite: Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
6E6P	HRAS G13D bound to GppNHp (Ha,b,c13GNP) Descriptor: CALCIUM ION, GLYCEROL, GTPase HRas, ... Authors: Johnson, C.W, Mattos, C. Deposit date: 2018-07-25 Release date: 2019-07-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
6S1U	Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR Authors: Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. Deposit date: 2019-06-19 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
7REH	Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M.N, Bruning, J.B, Bell, S.G. Deposit date: 2021-07-12 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.545 Å) Cite: An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity Acs Catalysis, 2022
6S1W	Crystal structure of dimeric M-PMV protease D26N mutant Descriptor: Gag-Pro-Pol polyprotein Authors: Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. Deposit date: 2019-06-19 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
4XX9	Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4 Descriptor: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... Authors: Rettenmaier, T.J, Wells, J.A. Deposit date: 2015-01-29 Release date: 2015-10-21 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. J.Med.Chem., 58, 2015
4XXL	Crystal structure of Class 1 cytochrome MtoD from Sideroxydans lithotrophicus ES-1 Descriptor: Cytochrome c class I, HEME C Authors: Beckwith, C.R, Edwards, M.J, Clarke, T. Deposit date: 2015-01-30 Release date: 2015-04-15 Last modified: 2019-01-23 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Characterization of MtoD from Sideroxydans lithotrophicus: a cytochrome c electron shuttle used in lithoautotrophic growth. Front Microbiol, 6, 2015
5TQ1	Phospholipase C gamma-1 C-terminal SH2 domain bound to a phosphopeptide derived from the insulin receptor Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Insulin receptor Authors: Wuttke, D.S, McKercher, M.A. Deposit date: 2016-10-21 Release date: 2017-04-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.485 Å) Cite: Multimodal Recognition of Diverse Peptides by the C-Terminal SH2 Domain of Phospholipase C-gamma 1 Protein. Biochemistry, 56, 2017

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