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8AIH
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BU of 8aih by Molmil
Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase at 1.9 Angstroms Resolution
分子名称: DIHYDROGENPHOSPHATE ION, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION
著者Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A.
登録日2022-07-26
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Int.J.Biol.Macromol., 250, 2023
8AII
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High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine
分子名称: ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ...
著者Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A.
登録日2022-07-26
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Int.J.Biol.Macromol., 250, 2023
8ALS
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BU of 8als by Molmil
The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase
分子名称: Glutathione S-transferase class-mu 28 kDa isozyme, SODIUM ION
著者Pandian, R, Makumbe, H.H, Sayed, Y, Achilonu, I.A.
登録日2022-08-01
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase
To Be Published
8BHZ
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BU of 8bhz by Molmil
The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase in orthorhombic form
分子名称: Glutathione S-transferase class-mu 28 kDa isozyme
著者Pandian, R, Mfeka, S.M, Onisuru, O, Sayed, Y, Achilonu, I.A.
登録日2022-11-01
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biophysical and biochemical characterization of 28-kDa glutathione transferase from Schistosoma haematobium
To Be Published
6K4J
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BU of 6k4j by Molmil
Crystal Structure of the the CD9
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CD9 antigen, NICKEL (II) ION, ...
著者Umeda, R, Nishizawa, T, Sato, K, Nureki, O.
登録日2019-05-24
公開日2020-05-13
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structural insights into tetraspanin CD9 function.
Nat Commun, 11, 2020
1MI7
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BU of 1mi7 by Molmil
Crystal Structure of Domain Swapped trp Aporepressor in 30%(v/v) Isopropanol
分子名称: ISOPROPYL ALCOHOL, Trp operon repressor
著者Lawson, C.L, Benoff, B, Berger, T, Berman, H.M, Carey, J.
登録日2002-08-22
公開日2003-09-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献E. coli trp repressor forms a domain-swapped array in aqueous alcohol.
Structure, 12, 2004
5QYI
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BU of 5qyi by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12a
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
3Q3B
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BU of 3q3b by Molmil
6-Amino-4-(pyrimidin-4-yl)pyridones: Novel Glycogen Synthase Kinase-3 Inhibitors
分子名称: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Glycogen synthase kinase-3 beta
著者Pandit, J.
登録日2010-12-21
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
7FR2
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BU of 7fr2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer
分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
分子名称: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
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BU of 7frd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
分子名称: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
6JL2
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BU of 6jl2 by Molmil
Crystal structure of VvPlpA G389N from Vibrio vulnificus
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, HEXAETHYLENE GLYCOL, Thermolabile hemolysin
著者Ma, Q, Wan, Y, Liu, C.
登録日2019-03-03
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
2GYW
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BU of 2gyw by Molmil
Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime
分子名称: 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
5J8T
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BU of 5j8t by Molmil
NMR structure of Excalibur domain of CbpL
分子名称: CALCIUM ION, Choline binding protein
著者Pantoja-Uceda, D, Trevino, M.A, Bruix, M.
登録日2016-04-08
公開日2017-05-10
最終更新日2019-10-23
実験手法SOLUTION NMR
主引用文献Molecular Choline-bindind Protein L Involved in Pneumococcal Adhesion and Virulence through Exposed Excalibur domanin
To Be Published
2GYV
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BU of 2gyv by Molmil
Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7
分子名称: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, ...
著者Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
2HPW
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BU of 2hpw by Molmil
Green fluorescent protein from Clytia gregaria
分子名称: Green fluorescent protein
著者Stepanyuk, G, Liu, Z.J, Vysotski, S.E, Lee, J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-07-17
公開日2006-09-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of Green Fluorescent Protein from Clytia Gregaria at 1.55 A resolution
To be Published
2GYU
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BU of 2gyu by Molmil
Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
2FF1
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Crystal structure of Trypanosoma vivax nucleoside hydrolase soaked with ImmucillinH
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase
著者Versees, W, Barlow, J, Steyaert, J.
登録日2005-12-18
公開日2006-05-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Transition-state Complex of the Purine-specific Nucleoside Hydrolase of T.vivax: Enzyme Conformational Changes and Implications for Catalysis.
J.Mol.Biol., 359, 2006
2FF2
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BU of 2ff2 by Molmil
Crystal structure of Trypanosoma vivax nucleoside hydrolase co-crystallized with ImmucillinH
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ...
著者Versees, W, Barlow, J, Steyaert, J.
登録日2005-12-18
公開日2006-05-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Transition-state Complex of the Purine-specific Nucleoside Hydrolase of T.vivax: Enzyme Conformational Changes and Implications for Catalysis.
J.Mol.Biol., 359, 2006
3RED
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BU of 3red by Molmil
3.0 A structure of the Prunus mume hydroxynitrile lyase isozyme-1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Hydroxynitrile lyase
著者Cielo, C.B.C, Yamane, T, Asano, Y, Watanabe, N, Suzuki, A, Fukuta, Y.
登録日2011-04-04
公開日2012-06-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Crystal Structure of a native FAD-dependent Hydroxynitrile Lyase derived from the Japanese apricot, Prunus mume
To be Published
3TWZ
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BU of 3twz by Molmil
Phosphorylated Bacillus cereus phosphopentomutase in space group P212121
分子名称: MANGANESE (II) ION, Phosphopentomutase
著者Panosian, T.P, Nanneman, D.P, Bachmann, B.O, Iverson, T.M.
登録日2011-09-22
公開日2012-02-29
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
3TX0
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Unphosphorylated Bacillus cereus phosphopentomutase in a P212121 crystal form
分子名称: MANGANESE (II) ION, Phosphopentomutase
著者Panosian, T.P, Nanneman, D.P, Bachmann, B.O, Iverson, T.M.
登録日2011-09-22
公開日2012-02-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
2LMA
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BU of 2lma by Molmil
Solution structure of CD4+ T cell derived peptide Thp5
分子名称: Thp5 peptide
著者Pandey, N.K, Khan, M.M, Chatterjee, S, Dwivedi, V.P, Tousif, S, Das, J, Van Kaer, L.
登録日2011-11-29
公開日2011-12-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献CD4+ T cell derived novel peptide Thp5 induces IL-4 production in CD4+ T cells to direct T helper 2 cell differentiation
J.Biol.Chem., 2011
3QPN
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Structure of PDE10-inhibitor complex
分子名称: 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ...
著者Pandit, J, Marr, E.S.
登録日2011-02-14
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011

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