Author results

4XKL
  • Download 4xkl
  • View 4xkl
Molmil generated image of 4xkl
CRYSTAL STRUCTURE OF NDP52 ZF2 IN COMPLEX WITH MONO-UBIQUITIN
分子名称:Ubiquitin, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
著者Xie, X., Li, F., Wang, Y., Lin, Z., Chen, X., Liu, J., Pan, L.
登録日2015-01-12
公開日2015-11-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
1JNK
  • Download 1jnk
  • View 1jnk
Molmil generated image of 1jnk
THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP
分子名称:C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Xie, X., Su, M.S.-S.
登録日1998-06-03
公開日1999-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
1JUO
  • Download 1juo
  • View 1juo
Molmil generated image of 1juo
CRYSTAL STRUCTURE OF CALCIUM-FREE HUMAN SORCIN: A MEMBER OF THE PENTA-EF-HAND PROTEIN FAMILY
分子名称:sorcin
著者Xie, X.
登録日2001-08-24
公開日2002-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of calcium-free human sorcin: a member of the penta-EF-hand protein family.
Protein Sci., 10, 2001
1TAF
  • Download 1taf
  • View 1taf
Molmil generated image of 1taf
DROSOPHILA TBP ASSOCIATED FACTORS DTAFII42/DTAFII62 HETEROTETRAMER
分子名称:TFIID TBP ASSOCIATED FACTOR 42, TFIID TBP ASSOCIATED FACTOR 62, ZINC ION
著者Xie, X., Kokubo, T., Cohen, S.L., Mirza, U.A., Hoffmann, A., Chait, B.T., Roeder, R.G., Nakatani, Y., Burley, S.K.
登録日1996-06-01
公開日1996-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural similarity between TAFs and the heterotetrameric core of the histone octamer.
Nature, 380, 1996
1TKQ
  • Download 1tkq
  • View 1tkq
Molmil generated image of 1tkq
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CSCL
分子名称:MINI-GRAMICIDIN A, GRAMICIDIN A, SUCCINIC ACID
著者Xie, X., Al-Momani, L., Bockelmann, D., Griesinger, C., Koert, U.
登録日2004-06-09
公開日2004-07-13
最終更新日2012-12-12
実験手法SOLUTION NMR
主引用文献An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
5SUN
  • Download 5sun
  • View 5sun
Molmil generated image of 5sun
IDH1 R132H IN COMPLEX WITH IDH146
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, ...
著者Xie, X., Kulathila, R.
登録日2016-08-03
公開日2017-02-08
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.477 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVF
  • Download 5svf
  • View 5svf
Molmil generated image of 5svf
IDH1 R132H IN COMPLEX WITH IDH125
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, ...
著者Xie, X., Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVN
  • Download 5svn
  • View 5svn
Molmil generated image of 5svn
STRUCTURE OF IDH2 MUTANT R172K
分子名称:Isocitrate dehydrogenase [NADP], mitochondrial, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xie, X., Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVO
  • Download 5svo
  • View 5svo
Molmil generated image of 5svo
STRUCTURE OF IDH2 MUTANT R140Q
分子名称:Isocitrate dehydrogenase [NADP], mitochondrial, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xie, X., Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5TF9
  • Download 5tf9
  • View 5tf9
Molmil generated image of 5tf9
CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH MN2+AMPPNP AND WNK476
分子名称:Serine/threonine-protein kinase WNK1, {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1H-indol-1-yl}methanone, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X., Gunawan, J.
登録日2016-09-24
公開日2016-10-19
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
3SUZ
  • Download 3suz
  • View 3suz
Molmil generated image of 3suz
CRYSTAL STRUCTURE OF RAT MINT2 PPC
分子名称:Amyloid beta A4 precursor protein-binding family A member 2
著者Shen, Y., Long, J., Yan, X., Xie, X.
登録日2011-07-11
公開日2012-07-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
3SV1
  • Download 3sv1
  • View 3sv1
Molmil generated image of 3sv1
CRYSTAL STRUCTURE OF APP PEPTIDE BOUND RAT MINT2 PARM
分子名称:Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
著者Shen, Y., Long, J., Yan, X., Xie, X.
登録日2011-07-12
公開日2012-07-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
2MXP
  • Download 2mxp
  • View 2mxp
Molmil generated image of 2mxp
SOLUTION STRUCTURE OF NDP52 UBIQUITIN-BINDING ZINC FINGER
分子名称:Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
著者Pan, L., Xie, X.
登録日2015-01-12
公開日2015-11-11
実験手法SOLUTION NMR
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
1PME
  • Download 1pme
  • View 1pme
Molmil generated image of 1pme
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
分子名称:ERK2, SULFATE ION, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
著者Xie, X.
登録日1998-06-08
公開日1999-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
1SCM
  • Download 1scm
  • View 1scm
Molmil generated image of 1scm
STRUCTURE OF THE REGULATORY DOMAIN OF SCALLOP MYOSIN AT 2.8 ANGSTROMS RESOLUTION
分子名称:MYOSIN HEAVY CHAIN, MYOSIN REGULATORY LIGHT CHAIN, MYOSIN ESSENTIAL LIGHT CHAIN, ...
著者Cohen, C., Xie, X.
登録日1994-01-06
公開日1994-04-30
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the regulatory domain of scallop myosin at 2.8 A resolution.
Nature, 368, 1994
2OJG
  • Download 2ojg
  • View 2ojg
Molmil generated image of 2ojg
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
分子名称:Mitogen-activated protein kinase 1, SULFATE ION, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X., Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
  • Download 2oji
  • View 2oji
Molmil generated image of 2oji
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH N-BENZYL-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
分子名称:Mitogen-activated protein kinase 1, SULFATE ION, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X., Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
  • Download 2ojj
  • View 2ojj
Molmil generated image of 2ojj
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
分子名称:Mitogen-activated protein kinase 1, SULFATE ION, (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X., Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
  • Download 2ok1
  • View 2ok1
Molmil generated image of 2ok1
CRYSTAL STRUCTURE OF JNK3 BOUND TO N-BENZYL-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
分子名称:Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X., Jacobs, M.D.
登録日2007-01-15
公開日2007-02-06
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3G90
  • Download 3g90
  • View 3g90
Molmil generated image of 3g90
JNK-3 BOUND TO (Z)-5-FLUORO-1-((6-FLUORO-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3-(HYDROXYIMINO)INDOLIN-2-ONE
分子名称:Mitogen-activated protein kinase 10, (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
著者Xie, X., Jacobs, M.D.
登録日2009-02-12
公開日2009-02-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4IEH
  • Download 4ieh
  • View 4ieh
Molmil generated image of 4ieh
CRYSTAL STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH A SMALL MOLECULE INHIBITOR TARGETING BCL-2 BH3 DOMAIN INTERACTIONS
分子名称:Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
著者Xie, X., Kulathila, R.
登録日2012-12-13
公開日2013-07-10
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.
ACS Med Chem Lett, 4, 2013
5TQH
  • Download 5tqh
  • View 5tqh
Molmil generated image of 5tqh
IDH1 R132H MUTANT IN COMPLEX WITH IDH889
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, CITRATE ANION, (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, ...
著者Xie, X., Kulathila, R.
登録日2016-10-24
公開日2017-01-25
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
5WDY
  • Download 5wdy
  • View 5wdy
Molmil generated image of 5wdy
CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH 1-CYCLOHEXYL-N-({6-FLUORO-1-[2-(3-METHOXYPHENYL)PYRIDIN-4-YL]-1H-INDOL-3-YL}METHYL)METHANAMINE (COMPOUND 6)
分子名称:Serine/threonine-protein kinase WNK1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, ...
著者Xie, X., Kohls, D.
登録日2017-07-06
公開日2017-08-16
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5WE8
  • Download 5we8
  • View 5we8
Molmil generated image of 5we8
CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH N-{(3R)-1-[(4-CHLOROPHENYL)METHYL]PYRROLIDIN-3-YL}-2-(3-METHOXYPHENYL)-N-METHYLQUINOLINE-4-CARBOXAMIDE (COMPOUND 8)
分子名称:Serine/threonine-protein kinase WNK1, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X., Kohls, D.
登録日2017-07-07
公開日2017-08-16
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
6B0Z
  • Download 6b0z
  • View 6b0z
Molmil generated image of 6b0z
IDH1 R132H MUTANT IN COMPLEX WITH IDH305
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, ...
著者Xie, X., Kulathila, R.
登録日2017-09-15
公開日2017-11-08
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.
ACS Med Chem Lett, 8, 2017