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PDB: 101 件
1I7Q
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BU of 1i7q by Molmil
ANTHRANILATE SYNTHASE FROM S. MARCESCENS
分子名称: ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ...
著者Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
登録日2001-03-10
公開日2001-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I7S
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BU of 1i7s by Molmil
ANTHRANILATE SYNTHASE FROM SERRATIA MARCESCENS IN COMPLEX WITH ITS END PRODUCT INHIBITOR L-TRYPTOPHAN
分子名称: ANTHRANILATE SYNTHASE, TRPG, TRYPTOPHAN
著者Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
登録日2001-03-10
公開日2001-05-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
1QQR
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CRYSTAL STRUCTURE OF STREPTOKINASE DOMAIN B
分子名称: STREPTOKINASE DOMAIN B
著者Spraggon, G, Zhang, X.X, Ponting, C.P, Fox, V.F, Phillips, C, Smith, R.A.G, Jones, E.Y, Dobson, C, Stuart, D.I.
登録日1999-06-07
公開日1999-06-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Streptokinse Domain B
To be Published
8DK7
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Crystal structure of theophylline aptamer soaked with TAL2
分子名称: FAB heavy chain, FAB light chain, RNA (34-MER)
著者Menichelli, E, Spraggon, G.
登録日2022-07-04
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
3L4B
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BU of 3l4b by Molmil
Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
分子名称: ADENOSINE MONOPHOSPHATE, TrkA K+ Channel protein TM1088A, TrkA K+ Channel protein TM1088B, ...
著者Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
登録日2009-12-18
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
2QB5
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BU of 2qb5 by Molmil
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ...
著者Chamberlain, P.P, Lesley, S.A, Spraggon, G.
登録日2007-06-15
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
8SVE
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BU of 8sve by Molmil
Structure of Monomeric Interleukin-10 Grafted into and Antibody CDR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Fab Heavy chain, ...
著者DiDonato, M, Spraggon, G.
登録日2023-05-16
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel Interleukin-10 Antibody Graft to Treat Inflammatory Bowel Disease.
To Be Published
7KFA
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BU of 7kfa by Molmil
PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者Chopra, R, Xu, M, Spraggon, G.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
5W5O
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Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5FEQ
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BU of 5feq by Molmil
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
分子名称: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-17
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
3JXO
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BU of 3jxo by Molmil
Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
分子名称: TrkA-N domain protein
著者Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
登録日2009-09-20
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
6CUJ
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BU of 6cuj by Molmil
Crystal structure of the C-terminal domain of neisserial heparin binding antigen (NHBA)
分子名称: Gna2132
著者Malito, E, Spraggon, G.
登録日2018-03-26
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structures of NHBA elucidate a broadly conserved epitope identified by a vaccine induced antibody.
PLoS ONE, 13, 2018
6WYS
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BU of 6wys by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, SULFATE ION
著者Lee, C.C, Spraggon, G.
登録日2020-05-13
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6WZV
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BU of 6wzv by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-14
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X27
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Lon protease proteolytic domain complexed with bortezomib
分子名称: GLYCEROL, Lon protease homolog, mitochondrial, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-20
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
分子名称: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
著者Lee, C.C, Spraggon, G.
登録日2020-05-19
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
8D2B
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BU of 8d2b by Molmil
Crystal structure of theophylline aptamer in complex with TAL2
分子名称: 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D28
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BU of 8d28 by Molmil
Crystal structure of theophylline aptamer in complex with theophylline
分子名称: MAGNESIUM ION, RNA (33-MER), SODIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2A
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BU of 8d2a by Molmil
Crystal structure of theophylline aptamer in complex with TAL3
分子名称: 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5O
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Crystal structure of theophylline aptamer in complex with TAL4
分子名称: 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol, RNA (33-MER)
著者Menichelli, E, Spraggon, G.
登録日2022-06-05
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5L
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BU of 8d5l by Molmil
Crystal structure of theophylline aptamer in complex with TAL1
分子名称: 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-06-05
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D29
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Crystal structure of theophylline aptamer - apo form
分子名称: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022

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