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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
3FW5
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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
3TCQ
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BU of 3tcq by Molmil
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
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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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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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
4P9A
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BU of 4p9a by Molmil
X-ray Crystal Structure of PA protein from Influenza strain H7N9
分子名称: GLYCEROL, Polymerase PA
著者Fairman, J.W, Moen, S.O, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-04-02
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1999 Å)
主引用文献Structural analysis of H1N1 and H7N9 influenza A virus PA in the absence of PB1.
Sci Rep, 4, 2014
4OGX
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BU of 4ogx by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
分子名称: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4YET
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BU of 4yet by Molmil
X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD
分子名称: FE (III) ION, Superoxide dismutase
著者Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-02-24
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
4NI9
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Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
分子名称: Interleukin-6, SODIUM ION, SOMAmer SL1025
著者Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日2013-11-05
公開日2014-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014

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