8QUQ
| Crystal structure of Ompk36 GD at 3500 eV based on spherical harmonics absorption corrections | Descriptor: | OmpK36, SULFATE ION | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | Deposit date: | 2023-10-16 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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8QVS
| Crystal structure of Ompk36 GD at 3500 eV based on a combination of spherical harmonics and analytical absorption corrections | Descriptor: | OmpK36, SULFATE ION | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | Deposit date: | 2023-10-18 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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2BM2
| human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | Descriptor: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | Authors: | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | Deposit date: | 2005-03-09 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase Bioorg.Med.Chem., 13, 2005
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5N8C
| Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | Descriptor: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | Deposit date: | 2017-02-23 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based discovery of LpxC inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4UMN
| Structure of a stapled peptide antagonist bound to Nutlin-resistant Mdm2. | Descriptor: | E3 ubiquitin-protein ligase Mdm2, M06 | Authors: | Chee, S, Wongsantichon, J, Quah, S, Robinson, R.C, Verma, C, Lane, D.P, Brown, C.J, Ghadessy, F.J. | Deposit date: | 2014-05-20 | Release date: | 2014-05-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of a stapled peptide antagonist bound to nutlin-resistant Mdm2. PLoS ONE, 9, 2014
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4N1B
| STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | Deposit date: | 2013-10-03 | Release date: | 2014-02-19 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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1MRL
| Crystal structure of streptogramin A acetyltransferase with dalfopristin | Descriptor: | 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, Streptogramin A acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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1MR9
| Crystal structure of Streptogramin A Acetyltransferase with acetyl-CoA bound | Descriptor: | ACETYL COENZYME *A, Streptogramin A Acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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1MR7
| Crystal Structure of Streptogramin A Acetyltransferase | Descriptor: | Streptogramin A Acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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5YPU
| Crystal structure of an actin monomer in complex with the nucleator Cordon-Bleu MET72NLE WH2-motif peptide | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Scipion, C.P.M, Wongsantichon, J, Ferrer, F.J, Yuen, T.Y, Robinson, R.C. | Deposit date: | 2017-11-03 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural evidence for the roles of divalent cations in actin polymerization and activation of ATP hydrolysis Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YVN
| Human Glutathione Transferase Omega1 | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase omega-1, ... | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins, 87, 2019
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5YVO
| Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor | Descriptor: | ACETATE ION, Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, ... | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins, 87, 2019
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4P8V
| The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4P8X
| The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc6) were solved to resolutions of 2.48 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4P8U
| The crystal structures of YKL-39 in the absence of chitooligosaccharides was solved to resolutions of 2.4 angstrom | Descriptor: | Chitinase-3-like protein 2, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4P8W
| The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc4) were solved to resolutions of 1.9 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4L7C
| Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | Descriptor: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L7B
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L7D
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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6RD3
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6RCP
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6RCK
| Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Beis, K, Romano, M, Kwong, J. | Deposit date: | 2019-04-11 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo. Nat Commun, 10, 2019
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