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7MD9
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BU of 7md9 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, SODIUM ION
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MD6
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BU of 7md6 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL1
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MDB
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BU of 7mdb by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL2
Descriptor: 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CACODYLATE ION, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MD1
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BU of 7md1 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MD8
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BU of 7md8 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MDA
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BU of 7mda by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
6ISW
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BU of 6isw by Molmil
Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12
Descriptor: DNA (22-MER), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-19
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6IP7
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BU of 6ip7 by Molmil
Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11
Descriptor: DNA (22-MER), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-02
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6IP3
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BU of 6ip3 by Molmil
Structure of human telomeric DNA at 1.4 Angstroms resolution
Descriptor: DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
7TZT
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BU of 7tzt by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37)
Descriptor: 6-methylquinoxaline, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZR
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BU of 7tzr by Molmil
Crystal structure of the E. coli thiM riboswitch bound to N-methyl-1-(quinoxalin-6-yl)methanamine (compound 16)
Descriptor: MAGNESIUM ION, N-methyl-1-(quinoxalin-6-yl)methanamine, POTASSIUM ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZU
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BU of 7tzu by Molmil
Crystal structure of the E. coli thiM riboswitch bound to 1-(4-(piperazin-1-yl)pyridin-3-yl)-N-(quinoxalin-6-ylmethyl)methanamine (linked compound 38)
Descriptor: 1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZS
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BU of 7tzs by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)
Descriptor: 1-(quinoxalin-6-yl)methanamine, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TD7
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BU of 7td7 by Molmil
Crystal structure of an E. coli thiM riboswitch bound to thiamine, manganese ions
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7TDB
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BU of 7tdb by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, manganese ions
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7TDC
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BU of 7tdc by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, calcium ions
Descriptor: CALCIUM ION, MAGNESIUM ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7TDA
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BU of 7tda by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with thiamine pyrophosphate, manganese ions
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, THIAMINE DIPHOSPHATE, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7MCB
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BU of 7mcb by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase Holoenzyme
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-01
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCQ
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BU of 7mcq by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, AOAA-bound enzyme in dimeric form
Descriptor: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCP
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BU of 7mcp by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, Holoenzyme dimer
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCT
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BU of 7mct by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL1
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCN
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BU of 7mcn by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, Holoenzyme with High HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCL
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BU of 7mcl by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, PLP bound
Descriptor: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCY
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BU of 7mcy by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL3
Descriptor: 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCU
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BU of 7mcu by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL2
Descriptor: 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-02
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021

 

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