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1EJ9
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BU of 1ej9 by Molmil
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
2PLT
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BU of 2plt by Molmil
STRUCTURE DETERMINATION OF PLASTOCYANIN FROM A CRYSTAL SPECIMEN WITH HEMIHEDRAL TWINNING FRACTION OF ONE-HALF
Descriptor: CALCIUM ION, COPPER (II) ION, PLASTOCYANIN
Authors:Redinbo, M.R, Merchant, S, Yeates, T.O.
Deposit date:1993-05-06
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5-A crystal structure of plastocyanin from the green alga Chlamydomonas reinhardtii.
Biochemistry, 32, 1993
1A31
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BU of 1a31 by Molmil
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
1A35
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BU of 1a35 by Molmil
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
3L57
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BU of 3l57 by Molmil
Crystal Structure of the Plasmid pCU1 TraI Relaxase Domain
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, MANGANESE (III) ION, ...
Authors:Redinbo, M.R, Nash, R.P.
Deposit date:2009-12-21
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:The mechanism and control of DNA transfer by the conjugative relaxase of resistance plasmid pCU1.
Nucleic Acids Res., 38, 2010
3L6T
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BU of 3l6t by Molmil
Crystal Structure of an N-terminal Mutant of the Plasmid pCU1 TraI Relaxase Domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Redinbo, M.R, Nash, R.P.
Deposit date:2009-12-24
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The mechanism and control of DNA transfer by the conjugative relaxase of resistance plasmid pCU1.
Nucleic Acids Res., 38, 2010
3HX6
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BU of 3hx6 by Molmil
Crystal structure of Pseudomonas aeruginosa PilY1 C-terminal domain
Descriptor: CALCIUM ION, Type 4 fimbrial biogenesis protein PilY1
Authors:Redinbo, M.R, Orans, J.
Deposit date:2009-06-19
Release date:2010-01-26
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure analysis reveals Pseudomonas PilY1 as an essential calcium-dependent regulator of bacterial surface motility.
Proc.Natl.Acad.Sci.USA, 107, 2010
2QNV
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BU of 2qnv by Molmil
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
7U4C
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BU of 7u4c by Molmil
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
8UGT
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BU of 8ugt by Molmil
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
8UMG
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BU of 8umg by Molmil
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
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Optimization of a quinazoline-based scaffold against human CHD1
To Be Published
3K4A
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BU of 3k4a by Molmil
Crystal structure of selenomethionine substituted E. coli beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Wallace, B.D, Orans, J, Redinbo, M.R.
Deposit date:2009-10-05
Release date:2010-11-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
3K46
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BU of 3k46 by Molmil
Crystal structure of full-length E. coli beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Wallace, B.D, Lane, K.T, Redinbo, M.R.
Deposit date:2009-10-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
8W1Q
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BU of 8w1q by Molmil
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
6P2B
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BU of 6p2b by Molmil
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
6UST
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BU of 6ust by Molmil
Gut microbial sulfatase from Hungatella hathewayi
Descriptor: CALCIUM ION, N-acetylgalactosamine 6-sulfate sulfatase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-10-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
6D1N
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BU of 6d1n by Molmil
Apo structure of Bacteroides uniformis Beta-glucuronidase 1
Descriptor: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2018-04-12
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
6D41
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BU of 6d41 by Molmil
Bacteriodes uniformis beta-glucuronidase 1 bound to D-glucaro-1,5-lactone
Descriptor: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, ...
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2018-04-17
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
5FF5
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BU of 5ff5 by Molmil
Crystal Structure of SeMet PaaA
Descriptor: GLYCEROL, NICKEL (II) ION, PaaA, ...
Authors:Biernat, K.B, Redinbo, M.R.
Deposit date:2015-12-17
Release date:2016-04-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.933 Å)
Cite:Post-translational Claisen Condensation and Decarboxylation en Route to the Bicyclic Core of Pantocin A.
J.Am.Chem.Soc., 138, 2016
8GEN
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BU of 8gen by Molmil
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
8GEQ
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BU of 8geq by Molmil
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
8GES
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BU of 8ges by Molmil
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
8GER
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BU of 8ger by Molmil
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
8GEO
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BU of 8geo by Molmil
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
8GET
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BU of 8get by Molmil
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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