7EDZ
 
 | | Crystal Structure of human PPCS in complex with P-HoPan and AMPPNP | | 分子名称: | 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Sharma, N, Mostert, K.J, Strauss, E, Anand, R. | | 登録日 | 2021-03-17 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Coenzyme A Level Modulator Hopantenate (HoPan) Inhibits Phosphopantotenoylcysteine Synthetase Activity.
Acs Chem.Biol., 16, 2021
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5JIC
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ... | | 著者 | Hughes, S.J, Antoshchenko, T, Mottaghi, K, Barnard, L, Strauss, E, Park, H. | | 登録日 | 2016-04-22 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
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3BF3
 | | Type III pantothenate kinase from Thermotoga maritima complexed with product phosphopantothenate | | 分子名称: | MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Type III pantothenate kinase | | 著者 | Yang, K, Huerta, C, Strauss, E, Zhang, H. | | 登録日 | 2007-11-20 | | 公開日 | 2008-06-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
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3BEX
 | | Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate | | 分子名称: | PANTOTHENOIC ACID, PHOSPHATE ION, Type III pantothenate kinase | | 著者 | Yang, K, Huerta, C, Strauss, E, Zhang, H. | | 登録日 | 2007-11-20 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
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3BF1
 | | Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase | | 著者 | Yang, K, Huerta, C, Strauss, E, Zhang, H. | | 登録日 | 2007-11-20 | | 公開日 | 2008-06-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
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6AWJ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction | | 分子名称: | (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6AWI
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan | | 分子名称: | (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6AVP
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ... | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | 登録日 | 2017-09-04 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6AWG
 | | Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan | | 分子名称: | (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6AWH
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan | | 分子名称: | (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6EBV
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Type II pantothenate kinase | | 著者 | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H, Park, H. | | 登録日 | 2018-08-07 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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1P9O
 | | Crystal Structure of Phosphopantothenoylcysteine Synthetase | | 分子名称: | Phosphopantothenoylcysteine synthetase, SULFATE ION | | 著者 | Manoj, N, Strauss, E, Begley, T.P, Ealick, S.E. | | 登録日 | 2003-05-12 | | 公開日 | 2003-09-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of human phosphopantothenoylcysteine synthetase at 2.3 A resolution.
Structure, 11, 2003
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4EQW
 | | Crystal Structure of the Y361F, Y419F Mutant of Staphylococcus aureus CoADR | | 分子名称: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | 著者 | Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | 登録日 | 2012-04-19 | | 公開日 | 2012-10-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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4EM3
 | | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA | | 分子名称: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. | | 登録日 | 2012-04-11 | | 公開日 | 2012-10-17 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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4EQS
 | | Crystal structure of the Y419F mutant of Staphylococcus aureus CoADR | | 分子名称: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | 著者 | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | 登録日 | 2012-04-19 | | 公開日 | 2012-10-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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4EM4
 | | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-CoA | | 分子名称: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. | | 登録日 | 2012-04-11 | | 公開日 | 2012-10-17 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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6JTA
 | | Crystal Structure of D464A L465A mutant of FGAM Synthetase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ... | | 著者 | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | 登録日 | 2019-04-10 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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6JT8
 | | Crystal structure of 450-451_deletion mutant of FGAM Synthetase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | 著者 | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | 登録日 | 2019-04-10 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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6JT7
 | | Crystal structure of 452-453_deletion mutant of FGAM Synthetase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | 登録日 | 2019-04-10 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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4M7X
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Mottaghi, K, Hong, B, Tempel, W, Park, H. | | 登録日 | 2013-08-12 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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8QW7
 | | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Zollman, D, Farnaby, W, Ciulli, A. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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8QVU
 | | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | | 分子名称: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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8QU8
 | | PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | | 分子名称: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | 著者 | Fischer, G, Peter, D, Arce-Solano, S. | | 登録日 | 2023-10-14 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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8QUG
 | | KRAS-G12C in Complex with Compound 1 | | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fischer, G, Kratochvil, B. | | 登録日 | 2023-10-16 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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8QW6
 | | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | 分子名称: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Zollman, D, Farnaby, W, Ciulli, A. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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