7T6D
 
 | | CryoEM structure of the YejM/LapB complex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Inner membrane protein YejM, ... | | Authors: | Mi, W, Shu, S. | | Deposit date: | 2021-12-13 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Regulatory mechanisms of lipopolysaccharide synthesis in Escherichia coli.
Nat Commun, 13, 2022
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8CQ9
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | | Deposit date: | 2023-03-04 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently)
To Be Published
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1XJB
 | | Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C2, ... | | Authors: | Couture, J.-F, Pereira de Jesus-Tran, K, Roy, A.-M, Legrand, P, Cantin, L, Cote, P.-L, Luu-The, V, Labrie, F, Breton, R. | | Deposit date: | 2004-09-23 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparison of crystal structures of human type 3 3alpha-hydroxysteroid dehydrogenase reveals an "induced-fit" mechanism and a conserved basic motif involved in the binding of androgen
Protein Sci., 14, 2005
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2J3F
 | | L-ficolin complexed to N-acetyl-D-galactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Garlatti, V, Gaboriaud, C. | | Deposit date: | 2006-08-21 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
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1XK5
 | | Crystal structure of the m3G-cap-binding domain of snurportin1 in complex with a m3GpppG-cap dinucleotide | | Descriptor: | 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, snurportin-1 | | Authors: | Strasser, A, Dickmanns, A, Luehrmann, R, Ficner, R. | | Deposit date: | 2004-09-27 | | Release date: | 2005-06-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1
Embo J., 24, 2005
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2J60
 | | H-ficolin complexed to D-fucose | | Descriptor: | ACETATE ION, CALCIUM ION, FICOLIN-3, ... | | Authors: | Garlatti, V, Gaboriaud, C. | | Deposit date: | 2006-09-21 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
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2IJ5
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7SUQ
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2IMF
 | | 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida | | Descriptor: | 2-hydroxychromene-2-carboxylate isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID, ... | | Authors: | Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2006-10-04 | | Release date: | 2007-06-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida.
Biochemistry, 46, 2007
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2IWE
 | | Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin | | Descriptor: | 1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE), AZURIN, ZINC ION | | Authors: | De Jongh, T.E, Van Roon, A.M.M, Prudencio, M, Ubbink, M, Canters, G.W. | | Deposit date: | 2006-06-29 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Click-Chemistry with an Active Site Variant of Azurin
Eur.J.Inorg.Chem., 2006, 2006
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8CNK
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8CQD
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8CQC
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1XXP
 | | Yersinia YopH (residues 163-468) C403S binds phosphotyrosyl peptide at two sites | | Descriptor: | Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE, Protein-tyrosine phosphatase yopH | | Authors: | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | | Deposit date: | 2004-11-07 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
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7ZOF
 | | Streptavidin Iron-Porphyrin | | Descriptor: | (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid, FE (III) ION, IMIDAZOLE, ... | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-04-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Streptavidin Iron-Porphyrin
To Be Published
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2IWV
 | | Structure of the monomeric outer membrane porin OmpG in the open and closed conformation | | Descriptor: | CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE PROTEIN G, ... | | Authors: | Yildiz, O, Vinothkumar, K.R, Goswami, P, Kuehlbrandt, W. | | Deposit date: | 2006-07-04 | | Release date: | 2006-08-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Monomeric Outer-Membrane Porin Ompg in the Open and Closed Conformation.
Embo J., 25, 2006
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8C21
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7ZJT
 | | Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-11 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
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8C1Z
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8C1W
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1XYO
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7TC3
 | | Human APE1 in the apo form | | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.252 Å) | | Cite: | Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
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8C20
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7ZM2
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
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