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PDB: 687 results
6WNJ
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BU of 6wnj by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:T51D:A28C:I32C of HCRBPII
Descriptor: GLYCEROL, Retinol-binding protein 2, SULFATE ION, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-22
Release date:2020-08-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
6WP0
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BU of 6wp0 by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:T51D variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
6WP2
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BU of 6wp2 by Molmil
The Crystal Structure of Apo Zinc-Bound Domain Swapped-Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F:F57H Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
8GR3
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BU of 8gr3 by Molmil
Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
Authors:Chandrashekarmath, A, Bellur, A.
Deposit date:2022-08-31
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
8GR1
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BU of 8gr1 by Molmil
Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
Authors:Chandrashekarmath, A, Bellur, A.
Deposit date:2022-08-31
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
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
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
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
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
6WP1
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BU of 6wp1 by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:K40L:T51K Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
7EPQ
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BU of 7epq by Molmil
Crystal structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with sulfate and magnesium ions
Descriptor: MAGNESIUM ION, Putative exopolyphosphatase, SULFATE ION
Authors:Zhang, A.
Deposit date:2021-04-27
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with substrate analogs and magnesium ions reveals the basis for polyphosphate processivity.
J.Struct.Biol., 213, 2021
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
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
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
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
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
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
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
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
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
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
7MD0
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BU of 7md0 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme in the presence of NL1F3
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 (2.12 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021

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