1EJ9
 
 | | CRYSTAL STRUCTURE OF HUMAN TOPOISOMERASE I DNA COMPLEX | | Descriptor: | DNA (5'-D(*C*AP*AP*AP*AP*AP*GP*AP*CP*TP*CP*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*C*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*GP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3'), DNA TOPOISOMERASE I | | Authors: | Redinbo, M.R, Champoux, J.J, Hol, W.G. | | Deposit date: | 2000-03-01 | | Release date: | 2000-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel insights into catalytic mechanism from a crystal structure of human topoisomerase I in complex with DNA.
Biochemistry, 39, 2000
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1A31
 | | HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*5IUP*5IU*TP*GP*AP*AP*AP*AP*AP*5IUP*5IUP*5IUP*5IUP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*5IUP*5IUP*5IUP*5IUP*CP*AP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3'), PROTEIN (TOPOISOMERASE I) | | Authors: | Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 1998-01-27 | | Release date: | 1998-08-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA.
Science, 279, 1998
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1A35
 | | HUMAN TOPOISOMERASE I/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*(BRU)P*(BRU)P*TP*TP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*+UP*+UP*+UP*+UP*CP*+UP*AP*AP*GP*TP*CP*TP*TP*TP*+ UP*T)-3'), PROTEIN (DNA TOPOISOMERASE I) | | Authors: | Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G. | | Deposit date: | 1998-01-29 | | Release date: | 1998-08-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA.
Science, 279, 1998
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2PLT
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3HX6
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3L57
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3L6T
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8W1Q
 | | Aerobic crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | | Descriptor: | FE (II) ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-02-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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7U4C
 | | Borrelia burgdorferi HtpG N-terminal domain (1-228) in complex with BX-2819 | | Descriptor: | Chaperone protein HtpG, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | Authors: | Kowalewski, M.E, Lietzan, A, Haystead, T, Redinbo, M.R. | | Deposit date: | 2022-02-28 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Targeting Borrelia burgdorferi HtpG with a berserker molecule, a strategy for anti-microbial development.
Cell Chem Biol, 2023
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8UGT
 | | E. eligens beta-glucuronidase bound to UNC10206581-G | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-10-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity.
Rsc Chem Biol, 5, 2024
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8UMG
 | | Chromodomains of human CHD1 complexed with UNC10142 | | Descriptor: | 1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one, CHLORIDE ION, Chromodomain-helicase-DNA-binding protein 1 | | Authors: | Graboski, A.L, Redinbo, M.R. | | Deposit date: | 2023-10-17 | | Release date: | 2024-10-23 | | Last modified: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of CHD1 Antagonists for PTEN-Deficient Prostate Cancer.
J.Med.Chem., 67, 2024
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6DXU
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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
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9B9M
 | | Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | | Descriptor: | FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9B9O
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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8SBG
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8SL7
 | | Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05 | | Descriptor: | (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase | | Authors: | Graboski, A.L, Redinbo, M.R. | | Deposit date: | 2023-04-21 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
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8SIJ
 | | Crystal structure of F. varium tryptophanase | | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | | Authors: | Graboski, A.L, Redinbo, M.R. | | Deposit date: | 2023-04-16 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
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8GEN
 | | E. eligens beta-glucuronidase bound to UNC10201652-glucuronide | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEQ
 | | E. eligens beta-glucuronidase bound to ceritinib-glucuronide | | Descriptor: | 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine, Beta-glucuronidase | | Authors: | Simpson, J.B, Kowalewski, M.K, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GES
 | | R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GER
 | | E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | | Authors: | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEO
 | | E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide | | Descriptor: | 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GET
 | | R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide | | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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