2O21
 
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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4E02
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-03-02 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1547 Å) | | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published
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4DTT
 | | Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 | | Descriptor: | 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID, Insulin-degrading enzyme, ZINC ION | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2012-02-21 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
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4E58
 | | Crystal structure of GCC(LCG)CCGC duplex containing LNA residue | | Descriptor: | RNA duplex containing CCG repeats, SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, R. | | Deposit date: | 2012-03-14 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Crystallographic characterization of CCG repeats.
Nucleic Acids Res., 40, 2012
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2KLO
 | | Structure of the Cdt1 C-terminal domain | | Descriptor: | DNA replication factor Cdt1 | | Authors: | Khayrutdinov, B.I, Bae, W.J, Yun, Y.M, Tsuyama, T, Kim, J.J, Hwang, E, Ryu, K.-S, Cheong, H.-K, Cheong, C, Karplus, P.A, Guntert, P, Tada, S, Jeon, Y.H, Cho, Y. | | Deposit date: | 2009-07-06 | | Release date: | 2009-10-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the Cdt1 C-terminal domain: Conservation of the winged helix fold in replication licensing factors
Protein Sci., 18, 2009
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4EO6
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2KEB
 | | NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit | | Descriptor: | DNA polymerase subunit alpha B | | Authors: | Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E. | | Deposit date: | 2009-01-28 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome.
J.Biol.Chem., 285, 2010
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2P7V
 | | Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4 | | Descriptor: | MAGNESIUM ION, RNA polymerase sigma factor rpoD, Regulator of sigma D | | Authors: | Patikoglou, G.A, Westblade, L.F, Campbell, E.A, Lamour, V, Lane, W.J, Darst, S.A. | | Deposit date: | 2007-03-20 | | Release date: | 2007-08-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4.
J.Mol.Biol., 372, 2007
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4EOZ
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4FXX
 | | Structure of SF1 coiled-coil domain | | Descriptor: | IMIDAZOLE, MALONATE ION, Splicing factor 1 | | Authors: | Gupta, A, Bauer, W.J, Wang, W, Kielkopf, C.L. | | Deposit date: | 2012-07-03 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4801 Å) | | Cite: | Structure of Phosphorylated SF1 Bound to U2AF(65) in an Essential Splicing Factor Complex.
Structure, 21, 2013
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4FXW
 | | Structure of phosphorylated SF1 complex with U2AF65-UHM domain | | Descriptor: | SULFATE ION, Splicing factor 1, Splicing factor U2AF 65 kDa subunit | | Authors: | Wang, W, Bauer, W.J, Wedekind, J.E, Kielkopf, C.L. | | Deposit date: | 2012-07-03 | | Release date: | 2013-01-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure of Phosphorylated SF1 Bound to U2AF(65) in an Essential Splicing Factor Complex.
Structure, 21, 2013
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4H81
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-2-chloro-3-phenylpropanoic acid complex with ADP | | Descriptor: | (2R)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-09-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HST
 | | Crystal structure of a double mutant of a class III engineered cephalosporin acylase | | Descriptor: | 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain | | Authors: | Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L. | | Deposit date: | 2012-10-30 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity.
Biochem.J., 451, 2013
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4HW0
 | | Crystal structure of Sso10a-2, a DNA-binding protein from Sulfolobus solfataricus | | Descriptor: | DNA-binding protein Sso10a-2 | | Authors: | Waterreus, W.J, Goosen, N, Moolenaar, G.F, Driessen, R.P.C, Dame, R.T, Pannu, N.S. | | Deposit date: | 2012-11-07 | | Release date: | 2013-10-30 | | Last modified: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse architectural properties of Sso10a proteins: Evidence for a role in chromatin compaction and organization.
Sci Rep, 6, 2016
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4GS8
 | | Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | | Descriptor: | Insulin-degrading enzyme, N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide, ZINC ION | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
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4GSC
 | | Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
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4GSF
 | | The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
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4HSR
 | | Crystal Structure of a class III engineered cephalosporin acylase | | Descriptor: | 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain | | Authors: | Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L. | | Deposit date: | 2012-10-30 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity.
Biochem.J., 451, 2013
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4IFS
 | | Crystal structure of the hSSRP1 Middle domain | | Descriptor: | CHLORIDE ION, FACT complex subunit SSRP1 | | Authors: | Zhang, W.J, Zeng, F.X, Shao, C, Liu, Y.W, Niu, L.W, Li, X, Teng, M.K. | | Deposit date: | 2012-12-15 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of the hSSRP1 Middle domain
To be Published
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4IJH
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
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4H7Q
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-09-20 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4H85
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALPHA-CHLOROISOCAPROIC ACID, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-09-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IM8
 | | low resolution crystal structure of mouse RAGE | | Descriptor: | Advanced glycation end-products receptor | | Authors: | Xu, D, Young, J.H, Krahn, J.M, Song, D, Corbett, K.D, Chazin, W.J, Pedersen, L.C, Esko, J.D. | | Deposit date: | 2013-01-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.503 Å) | | Cite: | Stable RAGE-Heparan Sulfate Complexes Are Essential for Signal Transduction.
Acs Chem.Biol., 8, 2013
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4IOF
 | | Crystal structure analysis of Fab-bound human Insulin Degrading Enzyme (IDE) | | Descriptor: | Fab-bound IDE, heavy chain, light chain, ... | | Authors: | McCord, L.A, Liang, W.G, Hoey, R, Dowdell, E, Koide, A, Koide, S, Tang, W.J. | | Deposit date: | 2013-01-07 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.353 Å) | | Cite: | Conformational states and recognition of amyloidogenic peptides of human insulin-degrading enzyme.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IJL
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
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