5MTY
 
 | | Dibenzosuberone inhibitor 8e in complex with p38 MAPK | | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2017-01-11 | | Release date: | 2017-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
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5MVD
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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1UTA
 | | Solution structure of the C-terminal RNP domain from the divisome protein FtsN | | Descriptor: | CELL DIVISION PROTEIN FTSN | | Authors: | Yang, J.-C, van den Ent, F, Neuhaus, D, Brevier, J, Lowe, J. | | Deposit date: | 2003-12-04 | | Release date: | 2004-09-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Domain Architecture of the Divisome Protein Ftsn
Mol.Microbiol., 52, 2004
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5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1UIZ
 | | Crystal Structure Of Macrophage Migration Inhibitory Factor From Xenopus Laevis. | | Descriptor: | Macrophage Migration Inhibitory Factor | | Authors: | Suzuki, M, Takamura, Y, Maeno, M, Tochinai, S, Iyaguchi, D, Tanaka, I, Nishihira, J, Ishibashi, T. | | Deposit date: | 2003-07-24 | | Release date: | 2004-05-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Xenopus laevis Macrophage Migration Inhibitory Factor Is Essential for Axis Formation and Neural Development.
J.Biol.Chem., 279, 2004
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5OE7
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5OHG
 | | enolase in complex with RNase E | | Descriptor: | Enolase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Du, D, Luisi, B.F. | | Deposit date: | 2017-07-16 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Analysis of the natively unstructured RNA/protein-recognition core in the Escherichia coli RNA degradosome and its interactions with regulatory RNA/Hfq complexes.
Nucleic Acids Res., 46, 2018
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2WZR
 | | The Structure of Foot and Mouth Disease Virus Serotype SAT1 | | Descriptor: | POLYPROTEIN | | Authors: | Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E. | | Deposit date: | 2009-12-02 | | Release date: | 2010-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Structure of Foot-and-Mouth Disease Virus Serotype Sat1.
To be Published
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2X8Z
 | | Crystal structure of AnCE-captopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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1OZ3
 | | Crystal Structure of 3-MBT repeats of lethal (3) malignant Brain Tumor (Native-I) at 1.85 angstrom | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION | | Authors: | Wang, W.K, Tereshko, V, Boccuni, P, MacGrogan, D, Nimer, S.D, Patel, D.J. | | Deposit date: | 2003-04-07 | | Release date: | 2003-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Malignant brain tumor repeats: a three-leaved propeller architecture with ligand/peptide binding pockets.
Structure, 11, 2003
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2WWG
 | | Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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5MXN
 | | Atomic model of the VipA/VipB/Hcp, the type six secretion system non-contractile sheath-tube of Vibrio cholerae from cryo-EM | | Descriptor: | Haemolysin co-regulated protein, Type VI secretion protein | | Authors: | Wang, J, Brackmann, M, Castano-Diez, D, Kudryashev, M, Goldie, K, Maier, T, Stahlberg, H, Basler, M. | | Deposit date: | 2017-01-23 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of the extended type VI secretion system sheath-tube complex.
Nat Microbiol, 2, 2017
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1UJZ
 | | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | | Deposit date: | 2003-08-13 | | Release date: | 2004-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational redesign of protein-protein interaction specificity
NAT.STRUCT.MOL.BIOL., 11, 2004
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2X90
 | | Crystal structure of AnCE-enalaprilat complex | | Descriptor: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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2X91
 | | Crystal structure of AnCE-lisinopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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1OPL
 | | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase | | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
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5L71
 | | Crystal structure of mouse phospholipid hydroperoxide glutathione peroxidase 4 (GPx4) | | Descriptor: | 1,2-ETHANEDIOL, Phospholipid hydroperoxide glutathione peroxidase, mitochondrial | | Authors: | Janowski, R, Scanu, S, Madl, T, Niessing, D. | | Deposit date: | 2016-06-01 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal and solution structural studies of mouse phospholipid hydroperoxide glutathione peroxidase 4.
Acta Crystallogr.,Sect.F, 72, 2016
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1P6S
 | | Solution Structure of the Pleckstrin Homology Domain of Human Protein Kinase B beta (Pkb/Akt) | | Descriptor: | RAC-beta serine/threonine protein kinase | | Authors: | Auguin, D, Barthe, P, Auge-Senegas, M.T, Stern, M.H, Noguchi, M, Roumestand, C. | | Deposit date: | 2003-04-30 | | Release date: | 2004-05-18 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of the pleckstrin homology domain of the human
protein kinase B (PKB/Akt). Interaction with inositol phosphates.
J.BIOMOL.NMR, 28, 2004
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5L8G
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2016-06-07 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.974 Å) | | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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2WF0
 | | Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE | | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2009-04-02 | | Release date: | 2009-05-19 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics.
Bioorg.Med.Chem.Lett., 19, 2009
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1UMO
 | | The crystal structure of cytoglobin: the fourth globin type discovered in man | | Descriptor: | CYTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | de Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Bolognesi, M. | | Deposit date: | 2003-08-26 | | Release date: | 2004-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of cytoglobin: the fourth globin type discovered in man displays heme hexa-coordination.
J.Mol.Biol., 336, 2004
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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5KIU
 | | VCP-interacting membrane protein (VIMP) | | Descriptor: | Selenoprotein S | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
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5KIY
 | | p97 ND1-A232E in complex with VIMP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ... | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
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2VVJ
 | | IrisFP fluorescent protein in its red form, cis conformation | | Descriptor: | Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION | | Authors: | Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D. | | Deposit date: | 2008-06-09 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations.
Proc.Natl.Acad.Sci.USA, 105, 2008
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