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PDB: 58 件

3HWF
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Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo
分子名称: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
著者Clifton, M.C.
登録日2009-06-17
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3PEC
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BU of 3pec by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
分子名称: 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid, FE (III) ION, GLYCEROL, ...
著者Clifton, M.C.
登録日2010-10-25
公開日2011-10-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
3PED
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Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
分子名称: (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid, FE (III) ION, Neutrophil gelatinase-associated lipocalin, ...
著者Clifton, M.C.
登録日2010-10-25
公開日2011-10-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
3TCQ
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Crystal Structure of matrix protein VP40 from Ebola virus Sudan
分子名称: Matrix protein VP40
著者Clifton, M.C, Edwards, T.E, Anderson, V, Atkins, K, Raymond, A, Saphire, E.O, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-08-09
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-resolution Crystal Structure of Dimeric VP40 From Sudan ebolavirus.
J Infect Dis, 212 Suppl 2, 2015
3TNY
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Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen
分子名称: YfiY (ABC transport system substrate-binding protein), [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1- (hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron
著者Clifton, M.C.
登録日2011-09-02
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
分子名称: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW4
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Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
分子名称: CATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
6O5D
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PYOCHELIN
分子名称: GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION
著者Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-01
公開日2019-09-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
8U2E
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Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
分子名称: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
分子名称: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2022-09-16
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
分子名称: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
著者Ma, X, Ornelas, E, Clifton, M.C.
登録日2022-06-21
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
5WHK
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BU of 5whk by Molmil
Crystal structure of Fab fragment of antibody DX-2507 bound to FcRn-B2M
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, ...
著者Edwards, T.E, Clifton, M.C, Nixon, A.E, Kenniston, J.A.
登録日2017-07-17
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for pH-insensitive inhibition of immunoglobulin G recycling by an anti-neonatal Fc receptor antibody.
J. Biol. Chem., 292, 2017
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
分子名称: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
著者Ma, X, Ornelas, E, Clifton, M.C.
登録日2022-03-08
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
6M90
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BU of 6m90 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex
分子名称: 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M91
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Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex
分子名称: 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M93
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Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex
分子名称: 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M94
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Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex
分子名称: Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M92
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BU of 6m92 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex
分子名称: 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
4K19
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The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin
分子名称: (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, CHLORIDE ION, FE (III) ION, ...
著者Correnti, C, Clifton, M.C, Strong, R.K.
登録日2013-04-04
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Siderocalin Outwits the Coordination Chemistry of Vibriobactin, a Siderophore of Vibrio cholerae.
Acs Chem.Biol., 8, 2013
4QTP
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BU of 4qtp by Molmil
Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
分子名称: 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ...
著者Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-07-08
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
分子名称: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
著者Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
登録日2009-06-22
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
3HYI
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BU of 3hyi by Molmil
Crystal structure of full-length DUF199/WhiA from Thermatoga maritima
分子名称: GLYCEROL, Protein DUF199/WhiA, SODIUM ION
著者Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
登録日2009-06-22
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease
Structure, 17, 2009
3U0B
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BU of 3u0b by Molmil
Crystal structure of an oxidoreductase from Mycobacterium smegmatis
分子名称: Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION
著者Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-28
公開日2011-10-05
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis.
Acta Crystallogr.,Sect.F, 80, 2024
3SAO
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BU of 3sao by Molmil
The Siderocalin Ex-FABP functions through dual ligand specificities
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ...
著者Correnti, C, Strong, R.K, Clifton, M.C.
登録日2011-06-03
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011

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