6CJF
 
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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5W0C
 | | Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Johnson, E.F, Hsu, M.-H. | | Deposit date: | 2017-05-30 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4Q4E
 | | Crystal structure of E.coli aminopeptidase N in complex with actinonin | | Descriptor: | ACTINONIN, Aminopeptidase N, GLYCEROL, ... | | Authors: | Reddi, R, Ganji, R.J, Addlagatta, A. | | Deposit date: | 2014-04-14 | | Release date: | 2015-04-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.
Protein Sci., 24, 2015
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6CKG
 | | D-glycerate 3-kinase from Cryptococcus neoformans var. grubii serotype A (H99 / ATCC 208821 / CBS 10515 / FGSC 9487) | | Descriptor: | 1,2-ETHANEDIOL, D-glycerate 3-kinase | | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-02-28 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D-glycerate 3-kinase from Cryptococcus neoformans var. grubii serotype A (H99 / ATCC 208821 / CBS 10515 / FGSC 9487)
To be Published
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1PU7
 | | Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 3,9-dimethyladenine | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE, 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM, BETA-MERCAPTOETHANOL | | Authors: | Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. | | Deposit date: | 2003-06-24 | | Release date: | 2003-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
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1JKO
 | | Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*CP*TP*TP*AP*CP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*GP*TP*AP*AP*GP*A)-3', ... | | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | | Deposit date: | 2001-07-12 | | Release date: | 2002-02-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Testing water-mediated DNA recognition by the Hin recombinase.
EMBO J., 21, 2002
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7LAO
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION | | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-06 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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2JMG
 | | Solution structure of V7R mutant of HIV-1 myristoylated matrix protein | | Descriptor: | Gag polyprotein, MYRISTIC ACID | | Authors: | Saad, J.S, Loeliger, E, Luncsford, P, Liriano, M, Tai, J, Kim, A, Miller, J, Joshi, A, Freed, E.O, Summers, M.F. | | Deposit date: | 2006-11-11 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
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5GNK
 | | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
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3B0A
 | | Crystal structure of the mouse HOIL1-L-NZF in complex with linear di-ubiquitin | | Descriptor: | Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | | Authors: | Sato, Y, Fujita, H, Yoshikawa, A, Yamashita, M, Yamagata, A, Kaiser, S.E, Iwai, K, Fukai, S. | | Deposit date: | 2011-06-07 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Specific recognition of linear ubiquitin chains by the Npl4 zinc finger (NZF) domain of the HOIL-1L subunit of the linear ubiquitin chain assembly complex
Proc.Natl.Acad.Sci.USA, 108, 2011
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2JM6
 | | Solution structure of MCL-1 complexed with NOXAB | | Descriptor: | Myeloid cell leukemia-1 protein Mcl-1 homolog, Noxa | | Authors: | Czabotar, P.E, Lee, E.F, van Delft, M.F, Day, C.L, Smith, B.J, Huang, D.C.S, Fairlie, W.D, Hinds, M.G, Colman, P.M. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the degradation of Mcl-1 induced by BH3 domains
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1FTJ
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5W5Z
 | | Crystal structure of BAXP168G in complex with an activating antibody at high resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C10 Fab heavy chain, ... | | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
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3M3K
 | | Ligand binding domain (S1S2) of GluA3 (flop) | | Descriptor: | GLUTAMIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | | Deposit date: | 2010-03-09 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA.
Biochemistry, 49, 2010
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3GBW
 | | Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2) | | Descriptor: | E3 ubiquitin-protein ligase MYCBP2 | | Authors: | Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-24 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
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3RMJ
 | | Crystal structure of truncated alpha-Isopropylmalate Synthase from Neisseria meningitidis | | Descriptor: | 2-isopropylmalate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Huisman, F.H.A, Baker, H.M, Koon, N, Baker, E.N, Parker, E.J. | | Deposit date: | 2011-04-20 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding
Biochemistry, 51, 2012
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5V54
 | | Crystal structure of 5-HT1B receptor in complex with methiothepin | | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B | | Authors: | Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y. | | Deposit date: | 2017-03-13 | | Release date: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
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4EG7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1331 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.747 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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5W56
 | | Structure of Apo AztC | | Descriptor: | GLYCEROL, Periplasmic solute binding protein, SODIUM ION | | Authors: | Avalos, D, Yukl, E.T. | | Deposit date: | 2017-06-14 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
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1POX
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5W63
 | | Crystal structure of channel catfish BAX | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION | | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
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2JOL
 | | Average NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei | | Descriptor: | Putative G-nucleotide exchange factor | | Authors: | Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S. | | Deposit date: | 2007-03-14 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42
Biochem.J., 411, 2008
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3MAC
 | | crystal structure of GP41-derived protein complexed with fab 8062 | | Descriptor: | Fab8062, Transmembrane glycoprotein | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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7LL9
 | | D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A | | Descriptor: | Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2 | | Authors: | Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S. | | Deposit date: | 2021-02-03 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
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1YXO
 | | Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593 | | Descriptor: | 4-hydroxythreonine-4-phosphate dehydrogenase 1, ETHANOL, MAGNESIUM ION | | Authors: | Liu, Y, Xu, X, Dong, A, Kudritskam, M, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-02-22 | | Release date: | 2005-04-05 | | Last modified: | 2011-10-05 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593
To be Published
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