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3KPB
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BU of 3kpb by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
4L28
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BU of 4l28 by Molmil
Crystal structure of delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-04
公開日2013-09-18
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (2.626 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4P1G
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BU of 4p1g by Molmil
Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
登録日2014-02-26
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
4L0D
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BU of 4l0d by Molmil
Crystal structure of delta516-525 human cystathionine beta-synthase containing C-terminal 6xHis-tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A.
登録日2013-05-31
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4PCU
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BU of 4pcu by Molmil
Crystal structure of delta516-525 E201S human cystathionine beta-synthase with AdoMet
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ...
著者Ereno-Orbea, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A.
登録日2014-04-16
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.578 Å)
主引用文献Structural insight into the molecular mechanism of allosteric activation of human cystathionine beta-synthase by S-adenosylmethionine.
Proc.Natl.Acad.Sci.USA, 111, 2014
4L27
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BU of 4l27 by Molmil
Crystal structure of delta1-39 and delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-04
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.391 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L3V
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BU of 4l3v by Molmil
Crystal structure of delta516-525 human cystathionine beta-synthase
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-07
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.628 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4P1O
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BU of 4p1o by Molmil
Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to ATP-Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
登録日2014-02-27
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
7ZOZ
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BU of 7zoz by Molmil
Crystal structure of Siglec-15 in complex with Fab
分子名称: Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
7ZOR
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BU of 7zor by Molmil
Crystal structure of anti-Siglec-15 Fab
分子名称: Anti-siglec15 FAB HC, Anti-siglec15 FAB LC
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.933 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
8BIZ
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BU of 8biz by Molmil
Cystathionine gamma-lyase from Toxoplasma gondii in complex with cysteine
分子名称: CYSTEINE, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIW
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BU of 8biw by Molmil
Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIS
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BU of 8bis by Molmil
Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.266 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIU
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BU of 8biu by Molmil
Cystathionine gamma-lyase in complex with cystathionine
分子名称: 2-KETOBUTYRIC ACID, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIV
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BU of 8biv by Molmil
Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii
分子名称: Cystathionine beta-lyase, putative, GLYCEROL, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIX
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BU of 8bix by Molmil
Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii in complex with cystathionine
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
6XFP
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BU of 6xfp by Molmil
Crystal Structure of BRAF kinase domain bound to Belvarafenib
分子名称: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Sudhamsu, J.
登録日2020-06-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTX
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BU of 5ktx by Molmil
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
著者Murray, J.M, Boenig, G.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.087 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
分子名称: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Eigenbrot, C, Wang, W.
登録日2020-06-28
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
4M49
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BU of 4m49 by Molmil
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4MNE
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BU of 4mne by Molmil
Crystal structure of the BRAF:MEK1 complex
分子名称: 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G.
登録日2013-09-10
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8483 Å)
主引用文献Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
4MNF
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BU of 4mnf by Molmil
Crystal structure of BRAF-V600E bound to GDC0879
分子名称: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G.
登録日2013-09-10
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014

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