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5CP6
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BU of 5cp6 by Molmil
Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6]
Descriptor: (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2015-07-21
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.
Angew.Chem.Int.Ed.Engl., 55, 2016
8QKT
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BU of 8qkt by Molmil
Structure of a nucleosome composed of a palindromic 167-base pair blunt-ended DNA fragment
Descriptor: DNA (167-MER), Histone H2A, Histone H2B type 1-J, ...
Authors:Ma, Z, Davey, C.A.
Deposit date:2023-09-17
Release date:2023-10-18
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Structure of a nucleosome composed of a palindromic 167-base pair blunt-ended DNA fragment
To Be Published
5CHO
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BU of 5cho by Molmil
Crystal Structure of BorF, the Flavin Reductase Component of a Bacterial Two-Component Tryptophan Halogenase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin reductase
Authors:Ma, Z, Bellizzi, J.
Deposit date:2015-07-10
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal Structure of BorF, the Flavin Reductase Component of a Bacterial Two-Component Tryptophan Halogenase
To be published
5XF3
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BU of 5xf3 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration)
Descriptor: (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF5
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BU of 5xf5 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration)
Descriptor: (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF6
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BU of 5xf6 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having an ethylenediamine linker
Descriptor: DNA (145-MER), ETHANE-1,2-DIAMINE, Histone H2A, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF4
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BU of 5xf4 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration)
Descriptor: (1S,2S)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
1ZG5
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BU of 1zg5 by Molmil
NarL complexed to narG-89 promoter palindromic tail-to-tail DNA site
Descriptor: 5'-D(*CP*GP*TP*AP*CP*CP*CP*CP*TP*AP*TP*AP*GP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, SULFATE ION
Authors:Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E.
Deposit date:2005-04-20
Release date:2005-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005
1ZG1
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BU of 1zg1 by Molmil
NarL complexed to nirB promoter non-palindromic tail-to-tail DNA site
Descriptor: 5'-D(*CP*GP*TP*AP*CP*CP*CP*AP*TP*TP*AP*AP*GP*GP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*TP*AP*CP*TP*CP*CP*TP*TP*AP*AP*TP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, ...
Authors:Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E.
Deposit date:2005-04-20
Release date:2005-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005
1U3C
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BU of 1u3c by Molmil
Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana
Descriptor: CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J.
Deposit date:2004-07-21
Release date:2004-08-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
1U3D
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BU of 1u3d by Molmil
Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana with AMPPNP bound
Descriptor: CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J.
Deposit date:2004-07-21
Release date:2004-08-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
5DNN
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BU of 5dnn by Molmil
Nucleosome core particle containing adducts of gold(I)-triethylphosphane and ruthenium(II)-toluene PTA complexes
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Adhireksan, Z, Ma, Z, Davey, C.A.
Deposit date:2015-09-10
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5W3D
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BU of 5w3d by Molmil
The structure of kinesin-14 wild-type Ncd-ADP dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational
Authors:Park, H.W, Ma, Z, Chacko, J, Jiang, S.M, Robinson, R.C, Endow, S.A.
Deposit date:2017-06-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
4GGG
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BU of 4ggg by Molmil
Crystal structure of V66A/L68V CzrA in the Zn(II)bound state.
Descriptor: CHLORIDE ION, Repressor protein, ZINC ION
Authors:Campanello, G.C, Ma, Z, Grossoehme, N.E, Chakrovorty, D.K, Guerra, A.J, Ye, Y, Dann III, C.E, Merz Jr, K.M, Giedroc, D.P.
Deposit date:2012-08-06
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Allosteric inhibition of a zinc-sensing transcriptional repressor: insights into the arsenic repressor (ArsR) family.
J.Mol.Biol., 425, 2013
7RWI
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BU of 7rwi by Molmil
Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198
Descriptor: (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Molodtsov, V, Ebright, R.H.
Deposit date:2021-08-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
6Q09
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BU of 6q09 by Molmil
Crystal structure of iron-bound Hemerythrin HHE cation binding domain-containing protein: Rv2633c homolog from Mycobacterium kansasii
Descriptor: FE (III) ION, Hemerythrin HHE cation binding domain protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-01
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a hemerythrin-like protein from Mycobacterium kansasii and homology model of the orthologous Rv2633c protein of M. tuberculosis.
Biochem.J., 477, 2020
6U3L
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BU of 6u3l by Molmil
Crystal structure of Hemerythrin HHE cation binding domain-containing protein: Rv2633c homolog from Mycobacterium kansasii
Descriptor: 1,2-ETHANEDIOL, Hemerythrin HHE cation binding domain protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-22
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a hemerythrin-like protein from Mycobacterium kansasii and homology model of the orthologous Rv2633c protein of M. tuberculosis.
Biochem.J., 477, 2020
4TOR
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BU of 4tor by Molmil
Crystal structure of Tankyrase 1 with IWR-8
Descriptor: 1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide, CHLORIDE ION, Tankyrase-1, ...
Authors:Chen, H, Zhang, X, Lum, L, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
3CH6
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BU of 3ch6 by Molmil
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Descriptor: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2008-03-07
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
Descriptor: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
Authors:Chen, H, Zhang, X, Lum, l, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
7BUJ
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BU of 7buj by Molmil
mcGAS bound with pppGpG
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wang, B, Su, X.D.
Deposit date:2020-04-07
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
7BUM
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BU of 7bum by Molmil
mcGAS bound with pGpA
Descriptor: ADENOSINE-5'-MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Wang, B, Su, X.D.
Deposit date:2020-04-07
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.047 Å)
Cite:Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020

 

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