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7C0F
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Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I)
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ...
著者Kanaujia, S.P, Chandravanshi, M.
登録日2020-05-01
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
7C0T
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Crystal structure of a dinucleotide-binding protein (N81A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-01
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
7C0W
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BU of 7c0w by Molmil
Crystal structure of a dinucleotide-binding protein (Y224A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II)
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-01
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
2ZO7
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BU of 2zo7 by Molmil
Crystal Structure of a Kusabira-Cyan Mutant (KCY-R1), a Cyan/Green-Emitting GFP-Like Protein
分子名称: CYAN/GREEN-EMITTING GFP-LIKE PROTEIN, KUSABIRA-CYAN MUTANT (KCY-R1)
著者Kikuchi, A, Fukumura, E, Karasawa, S, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-05-06
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of a new cyan fluorescent protein and its hue-shifted variants
Biochemistry, 48, 2009
4X0S
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Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
分子名称: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
著者Spencer, R.K, Salveson, P.J, Nowick, J.S.
登録日2014-11-23
公開日2015-05-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
7UAX
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BU of 7uax by Molmil
The crystal structure of the K36A/K38A double mutant of E. coli YGGS in complex with PLP
分子名称: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UAU
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BU of 7uau by Molmil
The crystal structure of the K137A mutant of E. coli YGGS in complex with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UAT
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BU of 7uat by Molmil
The crystal structure of the K36A mutant of E. coli YGGS in complex with PLP
分子名称: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UBP
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BU of 7ubp by Molmil
The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-15
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UB8
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BU of 7ub8 by Molmil
The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
分子名称: 1,4-BUTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UBQ
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BU of 7ubq by Molmil
The crystal structure of the wild-type of E. coli YGGS in complex with PNP
分子名称: PYRIDOXINE-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-15
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UD7
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Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
7UF6
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Crystal structure of liganded Hb with the 5-HMF analog, MMA509
分子名称: (2S)-2-(5-methylfuran-2-yl)oxane, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-22
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving the antisickling activity of furaldehyde
To be published
7UB4
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BU of 7ub4 by Molmil
The crystal structure of the K36A/K38A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UD8
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BU of 7ud8 by Molmil
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
分子名称: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.S.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
7UF7
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BU of 7uf7 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA503
分子名称: (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-22
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving the antisickling activity of furaldehyde
To be published
4AJN
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BU of 4ajn by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid
分子名称: (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
著者Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-03
公開日2022-03-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
4AJ1
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BU of 4aj1 by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
登録日2012-02-15
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
5J2C
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BU of 5j2c by Molmil
Ternary complex crystal structure of DNA polymerase Beta with C:A mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J2J
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BU of 5j2j by Molmil
Ternary complex crystal structure of DNA polymerase Beta with T:G mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
406D
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5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(BRO) UP*CP*GP*GP*UP*G)-3'
分子名称: RNA (5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(5BU)P*CP*GP*GP*UP*G)-3')
著者Shah, S.A, Brunger, A.T.
登録日1998-06-22
公開日1999-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure of a statically disordered 17 base-pair RNA duplex: principles of RNA crystal packing and its effect on nucleic acid structure.
J.Mol.Biol., 285, 1999
5J0Y
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BU of 5j0y by Molmil
Binary complex crystal structure of DNA polymerase Beta with T:T mismatch at the primer terminus
分子名称: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-28
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J29
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BU of 5j29 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with A:A mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA polymerase beta, Downstream Primer Strand, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J2G
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BU of 5j2g by Molmil
Ternary complex crystal structure of DNA polymerase Beta with G:G mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016

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