4ZSL
| MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Ogg, D.J, Tucker, J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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4ZY6
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4PJL
| Myosin VI motor domain A458E mutant in the Pi release state, space group P212121 - | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | Deposit date: | 2014-05-12 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How actin initiates the motor activity of Myosin. Dev.Cell, 33, 2015
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4PTE
| Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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5VFH
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5VLX
| Dehaloperoxidase B mutant F21W | Descriptor: | Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2017-04-26 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata. J. Biol. Inorg. Chem., 23, 2018
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4ZXT
| Complex of ERK2 with catechol | Descriptor: | AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2015-05-20 | Release date: | 2016-05-25 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer. Oncotarget, 7, 2016
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5VD2
| crystal structure of human WEE1 kinase domain in complex with PF-03814735 | Descriptor: | CHLORIDE ION, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, PHOSPHATE ION, ... | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2017-04-01 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
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4PTG
| Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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4PQC
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4PHV
| X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | Descriptor: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | Authors: | Bone, R. | Deposit date: | 1991-10-04 | Release date: | 1993-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry J.Am.Chem.Soc., 113, 1991
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4PTI
| THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | TRYPSIN INHIBITOR | Authors: | Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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5VYB
| Structure of the carbohydrate recognition domain of Dectin-2 complexed with a mammalian-type high mannose Man9GlcNAc2 oligosaccharide | Descriptor: | C-type lectin domain family 6 member A, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Feinberg, H, Jegouzo, S.A.F, Rex, M.J, Drickamer, K, Taylor, M.E, Weis, W.I. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism of pathogen recognition by human dectin-2. J. Biol. Chem., 292, 2017
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5VKL
| SPT6 tSH2-RPB1 1476-1500 pS1493 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, Transcription elongation factor SPT6 | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | Deposit date: | 2017-04-21 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription. Elife, 6, 2017
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5VZ3
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4Q02
| Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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5W22
| Crystal structure of human WT-KRAS in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-06-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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4QLH
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5W2Y
| INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | Deposit date: | 2017-06-07 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
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4NA8
| Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ... | Authors: | Wei, A. | Deposit date: | 2013-10-21 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
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4N34
| Structure of langerin CRD I313 with alpha-MeGlcNAc | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | 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 (1.75 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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4N3U
| Candida albicans Superoxide Dismutase 5 (SOD5), Cu(II) | Descriptor: | CITRATE ANION, COPPER (II) ION, Potential secreted Cu/Zn superoxide dismutase | Authors: | Galaleldeen, A, Taylor, A.B, Waninger-Saroni, J.J, Holloway, S.P, Hart, P.J. | Deposit date: | 2013-10-07 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Candida albicans SOD5 represents the prototype of an unprecedented class of Cu-only superoxide dismutases required for pathogen defense. Proc.Natl.Acad.Sci.USA, 111, 2014
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5UL6
| The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions | Descriptor: | Adapter molecule crk, Proline-rich motif of nonstructural protein 1 of influenza a virus | Authors: | Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H. | Deposit date: | 2017-01-24 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Molecular Mechanisms Underlying the Hijack of Host Proteins by the 1918 Spanish Influenza Virus. ACS Chem. Biol., 12, 2017
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4MLW
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4MNY
| Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903 | Descriptor: | ACETATE ION, GLYCEROL, N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide), ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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