4G2G
 
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | | Descriptor: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | Authors: | Hudson, S.A. | | Deposit date: | 2012-07-12 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4X9V
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C | | Descriptor: | Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1 | | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2014-12-11 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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4XTL
 | | Crystal structure of the light-driven sodium pump KR2 in the monomeric blue form, pH 4.3 | | Descriptor: | EICOSANE, GLYCEROL, SODIUM ION, ... | | Authors: | Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V. | | Deposit date: | 2015-01-23 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a light-driven sodium pump.
Nat.Struct.Mol.Biol., 22, 2015
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4X9R
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B | | Descriptor: | Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1 | | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2014-12-11 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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4XTO
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric red form, pH 5.6 | | Descriptor: | EICOSANE, SODIUM ION, Sodium pumping rhodopsin | | Authors: | Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V. | | Deposit date: | 2015-01-23 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a light-driven sodium pump.
Nat.Struct.Mol.Biol., 22, 2015
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3SZB
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4XTN
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric red form, pH 4.9 | | Descriptor: | EICOSANE, SODIUM ION, Sodium pumping rhodopsin, ... | | Authors: | Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V. | | Deposit date: | 2015-01-23 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a light-driven sodium pump.
Nat.Struct.Mol.Biol., 22, 2015
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4XXJ
 | | Crystal Structure of Escherichia coli-Expressed Halobacterium salinarum Bacteriorhodopsin in the Trimeric Form | | Descriptor: | Bacteriorhodopsin, EICOSANE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | | Authors: | Bratanov, D, Balandin, T, Round, E, Gushchin, I, Gordeliy, V. | | Deposit date: | 2015-01-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Approach to Heterologous Expression of Membrane Proteins. The Case of Bacteriorhodopsin.
Plos One, 10, 2015
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4X3O
 | | Sirt2 in complex with a myristoyl peptide | | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Wang, Y, Zhang, W.Z, Hao, Q. | | Deposit date: | 2014-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
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4YZ6
 | | Crystal Structure of Myc3[44-238] from Arabidopsis in complex with Jaz1 peptide [200-221] | | Descriptor: | Protein TIFY 10A, Transcription factor MYC3 | | Authors: | Ke, J, Zhang, F, Brunzelle, J, Xu, H.E, Melcher, K, HE, S.Y. | | Deposit date: | 2015-03-24 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
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4X3P
 | | Sirt2 in complex with a myristoyl peptide | | Descriptor: | 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, Y, Zhang, W, Hao, Q. | | Deposit date: | 2014-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
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4YVP
 | | Crystal Structure of AKR1C1 complexed with glibenclamide | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YWC
 | | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | | Descriptor: | Protein TIFY 7, Transcription factor MYC3 | | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | | Deposit date: | 2015-03-20 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
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3TPP
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3U51
 | | Src in complex with DNA-templated macrocyclic inhibitor MC1 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1 | | Authors: | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | | Deposit date: | 2011-10-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
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3SZA
 | | Crystal structure of human ALDH3A1 - apo form | | Descriptor: | ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ... | | Authors: | Khanna, M, Hurley, T.D. | | Deposit date: | 2011-07-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
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3QMV
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3TPJ
 | | APO structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3U4C
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3U49
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3TPL
 | | APO Structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3TPR
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3QMW
 | | RedJ with PEG molecule bound in the active site | | Descriptor: | TETRAETHYLENE GLYCOL, Thioesterase | | Authors: | Whicher, J.R, Smith, J.L. | | Deposit date: | 2011-02-05 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Function of the RedJ Protein, a Thioesterase from the Prodiginine Biosynthetic Pathway in Streptomyces coelicolor.
J.Biol.Chem., 286, 2011
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3TKT
 | | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | | Deposit date: | 2011-08-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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3U4D
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