4IYS
 
 | | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | | Descriptor: | Metal transporter CNNM2 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2013-01-29 | | Release date: | 2014-03-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To be Published
|
|
5LXQ
 | | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | | Deposit date: | 2016-09-22 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.335 Å) | | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
|
|
5MMZ
 | | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | | Descriptor: | Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1 | | Authors: | Gimenez-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-Orbea, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M.L, Martinez-Cruz, L.A. | | Deposit date: | 2016-12-12 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
|
|
4L27
 | | Crystal structure of delta1-39 and delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | | Deposit date: | 2013-06-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.391 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4L3V
 | | Crystal structure of delta516-525 human cystathionine beta-synthase | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | | Deposit date: | 2013-06-07 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.628 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4L28
 | | Crystal structure of delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | | Deposit date: | 2013-06-04 | | Release date: | 2013-09-18 | | Last modified: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (2.626 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4L0D
 | | Crystal structure of delta516-525 human cystathionine beta-synthase containing C-terminal 6xHis-tag | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A. | | Deposit date: | 2013-05-31 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7QUI
 | | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.352 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
|
|
7QU6
 | | Crystal structure of the N-terminal domain of Siglec-8 | | Descriptor: | Sialic acid-binding Ig-like lectin 8 | | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
|
|
4PCU
 | | Crystal structure of delta516-525 E201S human cystathionine beta-synthase with AdoMet | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ereno-Orbea, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A. | | Deposit date: | 2014-04-16 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.578 Å) | | Cite: | Structural insight into the molecular mechanism of allosteric activation of human cystathionine beta-synthase by S-adenosylmethionine.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7QUH
 | | Siglec-8 in complex with therapeutic Fab AK002. | | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
|
|
4P1O
 | | Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to ATP-Mg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metal transporter CNNM2 | | Authors: | 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. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
|
|
4P1G
 | | Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Metal transporter CNNM2 | | Authors: | 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. | | Deposit date: | 2014-02-26 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
|
|
3KPC
 | | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | 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
|
|
3KPD
 | | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | 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
|
|
3KPB
 | | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | | Authors: | 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. | | Deposit date: | 2009-11-16 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
|
|
6XFP
 | | Crystal Structure of BRAF kinase domain bound to Belvarafenib | | Descriptor: | 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 | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
|
|
5HIE
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
|
|
6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | Descriptor: | 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 | | Authors: | Yin, J, Eigenbrot, C, Wang, W. | | Deposit date: | 2020-06-28 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | 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
|
|
7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | Descriptor: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | | Deposit date: | 2020-09-06 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 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
|
|
5KTW
 | | 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) | | Descriptor: | 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 | | Authors: | Murray, J.M, Boenig, G. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.087 Å) | | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
|
|
5KTU
 | | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | | Descriptor: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
|
|
4ZVV
 | | Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | | Descriptor: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Li, Y, Chen, Z, Eigenbrot, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
|
|
5IXY
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chen, Z, Eigenbrot, C. | | Deposit date: | 2016-03-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
|
|
5IXS
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2016-03-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
|
|
