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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
3MDR	Tranylcypromine complex of Cytochrome P450 46A1 Descriptor: (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. Deposit date: 2010-03-30 Release date: 2010-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
4Y45	Endothiapepsin in complex with fragment 291 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4YI8	Crystal structure of non-myristoylated E153A recoverin at 1.2 A resolution with calcium ions bound to EF-hands 2 and 3 Descriptor: CALCIUM ION, Recoverin, SULFATE ION Authors: Prem Kumar, R, Ranaghan, M.J, Oprian, D.D. Deposit date: 2015-02-28 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands. Biochemistry, 54, 2015
8Y65	Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate Descriptor: Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID Authors: Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. Deposit date: 2024-02-01 Release date: 2024-06-19 Method: ELECTRON MICROSCOPY (3.51 Å) Cite: Structural basis for urate recognition and apigenin inhibition of human GLUT9. Nat Commun, 15, 2024
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
4Y5H	Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors Descriptor: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10 Authors: Park, H. Deposit date: 2015-02-11 Release date: 2015-05-06 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.055 Å) Cite: Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. Acs Med.Chem.Lett., 6, 2015
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
3MH3	Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. Deposit date: 2010-04-07 Release date: 2010-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
6S2M	Perdeuterated human myelin protein P2 at 0.72-A resolution Descriptor: Myelin P2 protein, PALMITIC ACID, VACCENIC ACID Authors: Laulumaa, S, Kursula, P. Deposit date: 2019-06-21 Release date: 2019-08-28 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (0.72 Å) Cite: Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites. Molecules, 24, 2019
8Y66	Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9 Authors: Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. Deposit date: 2024-02-01 Release date: 2024-06-19 Method: ELECTRON MICROSCOPY (3.28 Å) Cite: Structural basis for urate recognition and apigenin inhibition of human GLUT9. Nat Commun, 15, 2024
3MKB	Crystal structure determination of Shortfin Mako (Isurus oxyrinchus) hemoglobin at 1.9 Angstrom resolution Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE Authors: Ramesh, P, Sundaresan, S.S, Sathya Moorthy, P, Balasubramanian, M, Ponnuswamy, M.N. Deposit date: 2010-04-14 Release date: 2011-01-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural studies of haemoglobin from pisces species shortfin mako shark (Isurus oxyrinchus) at 1.9 angstrom resolution J.SYNCHROTRON RADIAT., 20, 2013
4YU3	The crystal structure of mongoose (Helogale parvula) hemoglobin at pH 8.2 Descriptor: OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin Authors: Abubakkar, M.M, Maheshwaran, V, Ponnuswamy, M.N. Deposit date: 2015-03-18 Release date: 2015-09-23 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.45 Å) Cite: The crystal structure of mongoose (Helogale parvula) hemoglobin at pH 8.2 To Be Published
6S73	Crystal structure of Nek7 SRS mutant bound to compound 51 Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 Authors: Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R. Deposit date: 2019-07-04 Release date: 2020-06-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
3MM4	Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana Descriptor: Histidine kinase homolog Authors: Marek, J, Klumpler, T, Pekarova, B, Triskova, O, Horak, J, Zidek, L, Dopitova, R, Hejatko, J, Janda, L. Deposit date: 2010-04-19 Release date: 2011-04-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure and binding specificity of the receiver domain of sensor histidine kinase CKI1 from Arabidopsis thaliana. Plant J., 67, 2011
4Y8Y	Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ... Authors: Wei, A. Deposit date: 2015-02-16 Release date: 2015-05-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
3MNB	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. First stage of radiation damage Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION Authors: Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. Deposit date: 2010-04-21 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.198 Å) Cite: X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
4YVE	ROCK 1 bound to methoxyphenyl thiazole inhibitor Descriptor: 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1 Authors: Jacobs, M.D. Deposit date: 2015-03-19 Release date: 2015-06-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
3MBL	Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP Descriptor: 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Dougan, D.R, Mol, C.D. Deposit date: 2010-03-25 Release date: 2010-07-28 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4Y9W	Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 0.82 A Resolution. Descriptor: Aspartic acid endopeptidase Sapp2, PEPTIDE Authors: Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Mareckova, L, Pichova, I. Deposit date: 2015-02-17 Release date: 2016-11-30 Last modified: 2019-09-04 Method: X-RAY DIFFRACTION (0.83 Å) Cite: Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
3MO3	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fifth stage of radiation damage Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION Authors: Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. Deposit date: 2010-04-22 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.805 Å) Cite: X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
3MO9	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Seventh stage of radiation damage Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION Authors: Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. Deposit date: 2010-04-22 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.003 Å) Cite: X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
9BBB	Human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat Authors: Sevrioukova, I.F. Deposit date: 2024-04-05 Release date: 2024-07-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir to be published
3MD3	Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1) Descriptor: GLYCEROL, Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1, SULFATE ION Authors: Li, H, Shi, H, Zhu, Z, Wang, H, Niu, L, Teng, M. Deposit date: 2010-03-29 Release date: 2010-05-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1) To be published
8ZMN	Crystal structure of ANTXR1 Descriptor: Anthrax toxin receptor 1, SODIUM ION Authors: Zheng, H, Hu, J, Fu, L, Chen, R. Deposit date: 2024-05-23 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.14 Å) Cite: X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus To Be Published

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