3CDU
 
 | | Crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase (3Dpol) in complex with a pyrophosphate | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gruez, A, Selisko, B, Roberts, M, Bricogne, G, Bussetta, C, Canard, B. | | Deposit date: | 2008-02-27 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase in complex with its protein primer VPg confirms the existence of a second VPg binding site on Picornaviridae polymerases
J.Virol., 82, 2008
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4LW5
 | | Crystal structure of all-trans green fluorescent protein | | Descriptor: | Green fluorescent protein | | Authors: | Rosenman, D.J, Huang, Y.-M, Xia, K, Vanroey, P, Colon, W, Bystroff, C. | | Deposit date: | 2013-07-26 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Green-lighting green fluorescent protein: Faster and more efficient folding by eliminating a cis-trans peptide isomerization event.
Protein Sci., 23, 2014
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5EIK
 | | Structure of a Trimeric Intracellular Cation channel from C. elegans in the absence of Ca2+ | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Hu, M.H, Yang, H.T, Liu, Z.F. | | Deposit date: | 2015-10-30 | | Release date: | 2016-10-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pore architecture of TRIC channels and insights into their gating mechanism.
Nature, 538, 2016
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5EP2
 | | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor | | Descriptor: | 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate, ACETATE ION, Putative repressor protein luxO | | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2015-11-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.421 Å) | | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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5EQY
 | | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2015-11-13 | | Release date: | 2016-01-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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3CDW
 | | Crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase (3Dpol) in complex with protein primer VPg and a pyrophosphate | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gruez, A, Selisko, B, Roberts, M, Bricogne, G, Bussetta, C, Canard, B. | | Deposit date: | 2008-02-27 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase in complex with its protein primer VPg confirms the existence of a second VPg binding site on Picornaviridae polymerases
J.Virol., 82, 2008
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3CAA
 | | CLEAVED ANTICHYMOTRYPSIN A347R | | Descriptor: | ANTICHYMOTRYPSIN | | Authors: | Lukacs, C.M, Christianson, D.W. | | Deposit date: | 1997-08-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
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2FYX
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5EGI
 | | Structure of a Trimeric Intracellular Cation channel from C. elegans with bound Ca2+ | | Descriptor: | CALCIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Uncharacterized protein Y57A10A.10, ... | | Authors: | Yang, H.T, Hu, M.H, Liu, Z.F. | | Deposit date: | 2015-10-27 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Pore architecture of TRIC channels and insights into their gating mechanism.
Nature, 538, 2016
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5EHC
 | | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | | Descriptor: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E | | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2015-10-28 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
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5EG2
 | | SET7/9 N265A in complex with AdoHcy and TAF10 peptide | | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | | Authors: | Kroner, G.M, Fick, R.J, Trievel, R.C. | | Deposit date: | 2015-10-26 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9.
Acs Chem.Biol., 11, 2016
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4MD6
 | | Crystal structure of PDE5 in complex with inhibitor 5R | | Descriptor: | 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Cui, W, Huang, M, Shao, Y, Luo, H. | | Deposit date: | 2013-08-22 | | Release date: | 2014-07-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
Biochem Pharmacol, 89, 2014
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2FN7
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1A5R
 | | STRUCTURE DETERMINATION OF THE SMALL UBIQUITIN-RELATED MODIFIER SUMO-1, NMR, 10 STRUCTURES | | Descriptor: | SUMO-1 | | Authors: | Bayer, P, Arndt, A, Metzger, S, Mahajan, R, Melchior, F, Jaenicke, R, Becker, J. | | Deposit date: | 1998-02-18 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure determination of the small ubiquitin-related modifier SUMO-1.
J.Mol.Biol., 280, 1998
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3CZG
 | | Crystal Structure Analysis of Sucrose hydrolase (SUH)-glucose complex | | Descriptor: | Sucrose hydrolase, alpha-D-glucopyranose | | Authors: | Kim, M.I, Rhee, S. | | Deposit date: | 2008-04-29 | | Release date: | 2008-07-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures and mutagenesis of sucrose hydrolase from Xanthomonas axonopodis pv. glycines: insight into the exclusively hydrolytic amylosucrase fold.
J.Mol.Biol., 380, 2008
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5XS9
 | | Crystal structure of Mycobacterium smegmatis BioQ | | Descriptor: | TetR family transcriptional regulator | | Authors: | Zhang, Y, Ji, Q, Feng, Y. | | Deposit date: | 2017-06-13 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of BioQ suggests a distinct regulatory mechanism for biotin, a nutritional virulence factor in Mycobacterium
To Be Published
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5EQE
 | | Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | | Descriptor: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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5ENG
 | | Crystal structure of the bromodomain of human CREBBP in complex with UP39 | | Descriptor: | CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5EQZ
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5EIR
 | | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | | Descriptor: | Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ... | | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2015-10-30 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
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5EMT
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6M37
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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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5EP1
 | | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain | | Descriptor: | ACETATE ION, Putative repressor protein luxO | | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2015-11-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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5EP7
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