3B7N
| Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylinositol | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ACETATE ION, PHOSPHATE ION, ... | Authors: | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | Deposit date: | 2007-10-31 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily Mol.Cell, 29, 2008
|
|
3B7Z
| Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine or Phosphatidylinositol | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Uncharacterized protein YKL091C | Authors: | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | Deposit date: | 2007-10-31 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily Mol.Cell, 29, 2008
|
|
3FLD
| |
1YAJ
| Crystal Structure of Human Liver Carboxylesterase in complex with benzil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, CES1 protein, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.M, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
1YA4
| Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
1YAH
| Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ETHYL ACETATE, ... | Authors: | Fleming, C.D, Bencahrit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
1YA8
| Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | Descriptor: | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL, 2-METHYLBUTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
6NCZ
| |
6NCY
| Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans | Descriptor: | Beta-glucuronidase, GLYCEROL, NICKEL (II) ION, ... | Authors: | Walton, W.G, Pellock, S.J, Redinbo, M.R. | Deposit date: | 2018-12-12 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome. Biochemistry, 58, 2019
|
|
6NCW
| |
6NZG
| Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine | Descriptor: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ... | Authors: | Pellock, S.J, Jariwala, P.B, Redinbo, M.R. | Deposit date: | 2019-02-13 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
|
|
6NCX
| |
6P2B
| Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid | Descriptor: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2 | Authors: | Walton, W.G, Pellock, S.J, Redinbo, M.R. | Deposit date: | 2019-05-21 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor. J.Med.Chem., 63, 2020
|
|
1NH3
| Human Topoisomerase I Ara-C Complex | Descriptor: | 5'-D(*(GNG)P*GP*AP*AP*AP*AP*AP*UP*UP*UP*UP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*UP*(UBB))-3', 5'-D(*AP*AP*AP*AP*AP*TP*UP*UP*UP*UP*CP*(CAR)P*AP*AP*GP*UP*CP*UP*UP*UP*UP*T)-3', ... | Authors: | Chrencik, J.E, Burgin, A.B, Pommier, Y, Stewart, L, Redinbo, M.R. | Deposit date: | 2002-12-18 | Release date: | 2003-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Impact of the Leukemia Drug 1-beta-D-Arabinofuranosylcytosine (Ara-C) on the Covalent Human Topoisomerase I-DNA Complex J.Biol.Chem., 278, 2003
|
|
1YUC
| Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP | Descriptor: | GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ... | Authors: | Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R. | Deposit date: | 2005-02-13 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP Nat.Struct.Mol.Biol., 12, 2005
|
|
2A66
| Human Liver Receptor Homologue DNA-Binding Domain (hLRH-1 DBD) in Complex with dsDNA from the hCYP7A1 Promoter | Descriptor: | 5'-D(*CP*TP*GP*GP*CP*CP*TP*TP*GP*AP*AP*C)-3', 5'-D(*GP*TP*TP*CP*AP*AP*GP*GP*CP*CP*AP*G)-3', ACETATE ION, ... | Authors: | Solomon, I.H, Hager, J.M, Safi, R, McDonnell, D.P, Redinbo, M.R, Ortlund, E.A. | Deposit date: | 2005-07-01 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human LRH-1 DBD-DNA Complex Reveals Ftz-F1 Domain Positioning is Required for Receptor Activity. J.Mol.Biol., 354, 2005
|
|
2DQZ
| Crystal structure of human carboxylesterase in complex with homatropine, coenzyme A, and palmitate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COENZYME A, FLUORIDE ION, ... | Authors: | Bencharit, S, Redinbo, M.R. | Deposit date: | 2006-06-02 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1 J.Mol.Biol., 363, 2006
|
|
2DQY
| Crystal structure of human carboxylesterase in complex with cholate and palmitate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLIC ACID, Liver carboxylesterase 1, ... | Authors: | Bencharit, S, Edwards, C.C, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2006-06-02 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1 J.Mol.Biol., 363, 2006
|
|
2DR0
| |
8DTQ
| Crystal Structure of Staphylococcus aureus pSK41 Cop | Descriptor: | CHLORIDE ION, Helix-turn-helix domain, SODIUM ION | Authors: | Walton, W.G, Eakes, T.C, Redinbo, M.R, McLaughlin, K.J. | Deposit date: | 2022-07-26 | Release date: | 2023-08-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | pSK41/pGO1-family conjugative plasmids of Staphylococcus aureus encode a cryptic repressor of replication. Plasmid, 128, 2023
|
|
8E72
| Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate | Descriptor: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | Authors: | Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2022-08-23 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology. Sci Adv, 9, 2023
|
|
8ETE
| Bile Salt Hydrolase from B. longum with covalent inhibitor bound | Descriptor: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name), Conjugated bile acid hydrolase | Authors: | Walker, M.E, Redinbo, M.R. | Deposit date: | 2022-10-17 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published
|
|
8ESL
| Bile Salt Hydrolase from a Bacteroidales species with covalent inhibitor bound | Descriptor: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Choloylglycine hydrolase | Authors: | Walker, M.E, Redinbo, M.R. | Deposit date: | 2022-10-14 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published
|
|
8ETK
| Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe | Descriptor: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION | Authors: | Walker, M.E, Grundy, M.K, Redinbo, M.R. | Deposit date: | 2022-10-17 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published
|
|
8ESG
| Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound | Descriptor: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Choloylglycine hydrolase | Authors: | Walker, M.E, Redinbo, M.R. | Deposit date: | 2022-10-14 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published
|
|