1RRJ
 
 | | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | | Deposit date: | 2003-12-08 | | Release date: | 2004-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
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1RR8
 | | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | | Deposit date: | 2003-12-08 | | Release date: | 2004-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
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1SKX
 | | Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | | Descriptor: | Orphan nuclear receptor PXR, RIFAMPICIN | | Authors: | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | | Deposit date: | 2004-03-05 | | Release date: | 2005-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
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4K59
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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
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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
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2DR0
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2H7C
 | | Crystal structure of human carboxylesterase in complex with Coenzyme A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COENZYME A, ... | | 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 (2 Å) | | Cite: | Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1
J.Mol.Biol., 363, 2006
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2HRR
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2Q7U
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2Q1H
 | | Ancestral Corticoid Receptor in Complex with Aldosterone | | Descriptor: | ALDOSTERONE, AncCR, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-24 | | Release date: | 2007-09-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
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2Q1V
 | | Ancestral corticoid receptor in complex with cortisol | | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, AncCR, GLYCEROL | | Authors: | Ortlund, E.A, Redinbo, M.R. | | Deposit date: | 2007-05-25 | | Release date: | 2007-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
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2Q3Y
 | | Ancestral Corticiod Receptor in Complex with DOC | | Descriptor: | Ancestral Corticiod Receptor, DESOXYCORTICOSTERONE, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-30 | | Release date: | 2007-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis
Science, 317, 2007
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2Q7T
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2QNV
 | | Crystal Structure of the Pregnane X Receptor bound to Colupulone | | Descriptor: | 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR | | Authors: | Teotico, D.G, Bischof, J, Redinbo, M.R. | | Deposit date: | 2007-07-19 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Pregnane X Receptor bound to Colupulone
TO BE PUBLISHED
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8DHV
 | | Treponema lecithinolyticum beta-glucuronidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycosyl hydrolase family 2, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-06-28 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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8DHW
 | | Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate | | Descriptor: | 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-06-28 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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8DHL
 | | Tannerella forsythia beta-glucuronidase (L2) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-06-27 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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8DHE
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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
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8ESI
 | | Bile Salt Hydrolase from B. longum 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), Conjugated bile acid hydrolase | | Authors: | Walker, M.E, Lim, L, Redinbo, M.R. | | Deposit date: | 2022-10-14 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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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
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8ETF
 | | Bile Salt Hydrolase B from Lactobacillus gasseri 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), Choloylglycine hydrolase, NICKEL (II) ION | | Authors: | Walker, M.E, Redinbo, M.R. | | Deposit date: | 2022-10-17 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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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
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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
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