8CF9
 
 | | Crystal structure of the human PXR ligand-binding domain in complex with sclareol | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
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6WB5
 | | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | Deposit date: | 2020-03-26 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
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6WB7
 | | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | Deposit date: | 2020-03-26 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
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4C68
 | | Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | Deposit date: | 2013-09-17 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4YFV
 | | X-ray structure of the 4-N-formyltransferase VioF from Providencia alcalifaciens O30 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, VioF | | Authors: | Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Protein Sci., 24, 2015
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4YFY
 | | X-ray structure of the Viof N-formyltransferase from Providencia alcalifaciens O30 in complex with THF and TDP-Qui4N | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Protein Sci., 24, 2015
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6GN0
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form | | Descriptor: | 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GNN
 | | Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme T | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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5KTW
 | | CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | | Descriptor: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | | Authors: | Murray, J.M, Boenig, G. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.087 Å) | | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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4B14
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | | Descriptor: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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5LNW
 | | Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex | | Descriptor: | 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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7UVP
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4FG2
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4XC7
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8FHN
 | | Cryo-EM structure of human NCC (class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHR
 | | Cryo-EM structure of human NCC (class 3-3) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHO
 | | Cryo-EM structure of human NCC (class 1) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ... | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHP
 | | Cryo-EM structure of human NCC (class 3-1) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHQ
 | | Cryo-EM structure of human NCC (class 3-2) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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4B11
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13) | | Descriptor: | 2-oxopentadecyl-CoA, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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4AT6
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4TZ3
 | | Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose | | Descriptor: | 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose, ... | | Authors: | Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G. | | Deposit date: | 2014-07-09 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
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4BBH
 | | Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor | | Descriptor: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate, CHLORIDE ION, ... | | Authors: | Rackham, M.D, Brannigan, J.A, Moss, D.K, Yu, Z, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-09-23 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase.
J.Med.Chem., 56, 2013
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4ZLG
 | | Cellobionic acid phosphorylase - gluconic acid complex | | Descriptor: | CHLORIDE ION, D-gluconic acid, D-glucono-1,5-lactone, ... | | Authors: | Nam, Y.W, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-05-01 | | Release date: | 2015-06-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
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4B13
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) | | Descriptor: | 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery.
J.Med.Chem., 55, 2012
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