7XLJ
 
 | | The crystal structure of ORE1(ANAC092) NAC domain | | Descriptor: | NAC domain-containing protein 92 | | Authors: | Chun, I.S, Kim, M.S. | | Deposit date: | 2022-04-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis of DNA binding by the NAC transcription factor ORE1, a master regulator of plant senescence.
Plant Commun., 4, 2023
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6AXB
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7XP3
 | | DNA complex form of ORESARA1(ANAC092) NAC Domain | | Descriptor: | DNA (5'-D(*AP*GP*TP*TP*AP*CP*GP*TP*AP*CP*GP*GP*CP*AP*CP*AP*CP*GP*TP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*TP*AP*CP*GP*TP*GP*TP*GP*CP*CP*GP*TP*AP*CP*GP*TP*AP*AP*C)-3'), DNA (5'-D(P*CP*AP*CP*AP*CP*GP*TP*AP*AP*C)-3'), ... | | Authors: | Chun, I.S, Kim, M.S. | | Deposit date: | 2022-05-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural basis of DNA binding by the NAC transcription factor ORE1, a master regulator of plant senescence.
Plant Commun., 4, 2023
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3CUP
 | | Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, H-2 class II histocompatibility antigen, ... | | Authors: | Corper, A.L, Yoshida, K, Teyton, L, Wilson, I.A. | | Deposit date: | 2008-04-16 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235
To be Published
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2JA4
 | | Crystal structure of CD5 domain III reveals the fold of a group B scavenger cysteine-rich receptor | | Descriptor: | T-CELL SURFACE GLYCOPROTEIN CD5 | | Authors: | Rodamilans, B, Munoz, I.G, Sarrias, M.R, Lozano, F, Blanco, F.J, Montoya, G. | | Deposit date: | 2006-11-21 | | Release date: | 2007-03-06 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of the Third Extracellular Domain of Cd5 Reveals the Fold of a Group B Scavenger Cysteine-Rich Receptor Domain.
J.Biol.Chem., 282, 2007
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6B60
 | | IMPase (AF2372) with 25 mM Glutamate | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, GLUTAMIC ACID, ... | | Authors: | Goldstein, R.I, Roberts, M.F. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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3D1Z
 | | Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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5AD2
 | | Bivalent binding to BET bromodomains | | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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1P9A
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7R2V
 | | Structure of nsp14 from SARS-CoV-2 in complex with SAH | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ... | | Authors: | Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K. | | Deposit date: | 2022-02-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022
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3CYX
 | | Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | | Authors: | Liu, F, Weber, I.T. | | Deposit date: | 2008-04-27 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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2M5C
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2M5D
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2M65
 | | NMR structure of human restriction factor APOBEC3A | | Descriptor: | Probable DNA dC->dU-editing enzyme APOBEC-3A, ZINC ION | | Authors: | Byeon, I.L, Byeon, C, Ahn, J, Gronenborn, A.M. | | Deposit date: | 2013-03-21 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity.
Nat Commun, 4, 2013
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6B64
 | | IMPase (AF2372) with 25 mM Asp | | Descriptor: | ASPARTIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, MAGNESIUM ION, ... | | Authors: | Goldstein, R.I, Roberts, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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6B4O
 | | 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, ... | | Authors: | Minasov, G, Warwzak, Z, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD.
To Be Published
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6B63
 | | IMPase (AF2372) with 25 mM Asp | | Descriptor: | (2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ... | | Authors: | Goldstein, R.I, Roberts, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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3PP7
 | | Crystal structure of Leishmania mexicana pyruvate kinase in complex with the drug suramin, an inhibitor of glycolysis. | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, GLYCEROL, POTASSIUM ION, ... | | Authors: | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2010-11-24 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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5OFU
 | | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2017-07-11 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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6R5K
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2BOA
 | | Human procarboxypeptidase A4. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE A4, ... | | Authors: | Garcia-Castellanos, R, Bonet-Figueredo, R, Pallares, I, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Ruth, F.X. | | Deposit date: | 2005-04-08 | | Release date: | 2005-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Detailed Molecular Comparison between the Inhibition Mode of A/B-Type Carboxypeptidases in the Zymogen State and by the Endogenous Inhibitor Latexin.
Cell.Mol.Life Sci., 62, 2005
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5AD3
 | | Bivalent binding to BET bromodomains | | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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6MA7
 | | Human CYP3A4 bound to an inhibitor fluconazole | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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2BOY
 | | Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-CHLOROCATECHOL 1,2-DIOXYGENASE, BENZHYDROXAMIC ACID, ... | | Authors: | Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F. | | Deposit date: | 2005-04-15 | | Release date: | 2006-08-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of 3-chlorocatechol 1,2-dioxygenase key enzyme of a new modified ortho-pathway from the Gram-positive Rhodococcus opacus 1CP grown on 2-chlorophenol.
J. Mol. Biol., 360, 2006
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4B20
 | | Structural basis of DNA loop recognition by Endonuclease V | | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*GP*TP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*AP*CP*AP*GP)-3', ENDONUCLEASE V, ... | | Authors: | Rosnes, I, Rowe, A.D, Forstrom, R.J, Alseth, I, Bjoras, M, Dalhus, B. | | Deposit date: | 2012-07-12 | | Release date: | 2013-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of DNA Loop Recognition by Endonuclease V.
Structure, 21, 2013
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