4ME3
 
 | | 1.8 Angstrom Crystal Structure of the N-terminal Domain of an Archaeal MCM | | Descriptor: | DNA replication licensing factor MCM related protein, ZINC ION | | Authors: | Fu, Y, Slaymaker, I.M, Wang, G, Chen, X.S. | | Deposit date: | 2013-08-24 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | The 1.8- angstrom Crystal Structure of the N-Terminal Domain of an Archaeal MCM as a Right-Handed Filament.
J.Mol.Biol., 426, 2014
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4LS5
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4DWH
 | | Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution) | | Descriptor: | Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Scharer, M.A, Puorger, C, Crespo, M, Glockshuber, R, Capitani, G. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
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4DER
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4LSM
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4DWO
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II | | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, MAGNESIUM ION | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-26 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
To be Published
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4MFC
 | | Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable CTP | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase beta, MAGNESIUM ION, ... | | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-08-27 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
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4LTE
 | | Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor | | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ... | | Authors: | Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R. | | Deposit date: | 2013-07-23 | | Release date: | 2014-05-21 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
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4LUG
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4DGA
 | | TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex | | Descriptor: | TRIMCyp, capsid protein | | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | | Deposit date: | 2012-01-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
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4MG3
 | | Crystal Structural Analysis of 2A Protease from Coxsackievirus A16 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protease 2A, ... | | Authors: | Sun, Y, Wang, X, Dang, M, Yuan, S. | | Deposit date: | 2013-08-28 | | Release date: | 2014-03-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | An open conformation determined by a structural switch for 2A protease from coxsackievirus A16.
Protein Cell, 4, 2013
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4DXA
 | | Co-crystal structure of Rap1 in complex with KRIT1 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Krev interaction trapped protein 1, MAGNESIUM ION, ... | | Authors: | Li, X, Zhang, R, Boggon, T.J. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for Small G Protein Effector Interaction of Ras-related Protein 1 (Rap1) and Adaptor Protein Krev Interaction Trapped 1 (KRIT1).
J.Biol.Chem., 287, 2012
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4DGN
 | | Crystal Structure of maize CK2 in complex with the inhibitor luteolin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha | | Authors: | Lolli, G, Mazzorana, M, Battistutta, R. | | Deposit date: | 2012-01-26 | | Release date: | 2012-08-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
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4LV4
 | | A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase | | Descriptor: | 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ... | | Authors: | Capodagli, G.C, Pegan, S.D. | | Deposit date: | 2013-07-25 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
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4MGP
 | | Structure of racemic Ala-(8,13,18) Magainin 2 | | Descriptor: | Magainin 2 Derivative | | Authors: | Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T. | | Deposit date: | 2013-08-28 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4LPB
 | | Crystal structure of a topoisomerase ATPase inhibitor | | Descriptor: | 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B | | Authors: | Boriack-Sjodin, A. | | Deposit date: | 2013-07-15 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
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4DIZ
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4DJU
 | | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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4DNM
 | | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221
to be published
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4DK6
 | | Structure of Editosome protein | | Descriptor: | RNA-editing complex protein MP81, single domain antibody VHH | | Authors: | Park, Y.-J, Hol, W. | | Deposit date: | 2012-02-03 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2.
Nucleic Acids Res., 40, 2012
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4LQU
 | | 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | | Descriptor: | Green fluorescent protein | | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | | Deposit date: | 2013-07-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4DLH
 | | Crystal Structure of the protein Q9HRE7 from Halobacterium salinarium at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HsR50 | | Descriptor: | uncharacterized protein | | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Northeast Structural Genomics Consortium Target HsR50
To be Published
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4DLV
 | | H-Ras Set 2 CaCl2/DTT, ordered off | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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