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PDB: 100 件
1FZA
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CRYSTAL STRUCTURE OF FIBRINOGEN FRAGMENT D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
著者Spraggon, G, Everse, S.J, Doolittle, R.F.
登録日1997-08-05
公開日1997-12-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin.
Nature, 389, 1997
1FZB
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CRYSTAL STRUCTURE OF CROSSLINKED FRAGMENT D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ...
著者Spraggon, G, Everse, S.J, Doolittle, R.F.
登録日1997-08-05
公開日1997-12-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin.
Nature, 389, 1997
7KFA
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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
8SVE
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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
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
1KEX
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BU of 1kex by Molmil
Crystal Structure of the b1 Domain of Human Neuropilin-1
分子名称: Neuropilin-1
著者Lee, C.C, Kreusch, A, McMullan, D, Ng, K, Spraggon, G.
登録日2001-11-18
公開日2003-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human Neuropilin-1 b1 Domain
Structure, 11, 2003
1KHD
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Crystal Structure Analysis of the anthranilate phosphoribosyltransferase from Erwinia carotovora at 1.9 resolution (current name, Pectobacterium carotovorum)
分子名称: Anthranilate phosphoribosyltransferase
著者Kim, C, Xuong, N.-H, Edwards, S, Madhusudan, Yee, M.-C, Spraggon, G, Mills, S.E.
登録日2001-11-29
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of Anthranilate Phosphoribosyltransferase from the Enterobacterium Pectobacterium carotovorum
FEBS Lett., 523, 2002
1KGZ
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Crystal Structure Analysis of the Anthranilate Phosphoribosyltransferase from Erwinia carotovora (current name, Pectobacterium carotovorum)
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MANGANESE (II) ION, ...
著者Kim, C, Xuong, N.-H, Edwards, S, Madhusudan, Yee, M.-C, Spraggon, G, Mills, S.E.
登録日2001-11-28
公開日2002-10-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of Anthranilate Phosphoribosyltransferase from the Enterobacterium Pectobacterium carotovorum
FEBS Lett., 523, 2002
5FED
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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2024-10-23
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
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2024-11-06
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
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
5W5J
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BU of 5w5j by Molmil
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
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
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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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2024-10-23
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2024-10-23
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2024-10-23
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
8D28
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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
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
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
8D5O
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BU of 8d5o by Molmil
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
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
8DK7
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BU of 8dk7 by Molmil
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2024-10-23
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
4CJD
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BU of 4cjd by Molmil
Crystal structure of Neisseria meningitidis trimeric autotransporter and vaccine antigen NadA
分子名称: IODIDE ION, NADA
著者Malito, E, Biancucci, M, Spraggon, G, Bottomley, M.J.
登録日2013-12-19
公開日2014-11-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Structure of the Meningococcal Vaccine Antigen Nada and Epitope Mapping of a Bactericidal Antibody.
Proc.Natl.Acad.Sci.USA, 111, 2014

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