Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5SUN
DownloadVisualize
BU of 5sun by Molmil
IDH1 R132H in complex with IDH146
Descriptor: 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-03
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.477 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
4XKL
DownloadVisualize
BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
Descriptor: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
Authors:Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
1JUO
DownloadVisualize
BU of 1juo by Molmil
Crystal Structure of Calcium-free Human Sorcin: A Member of the Penta-EF-Hand Protein Family
Descriptor: sorcin
Authors:Xie, X.
Deposit date:2001-08-24
Release date:2002-01-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of calcium-free human sorcin: a member of the penta-EF-hand protein family.
Protein Sci., 10, 2001
1JNK
DownloadVisualize
BU of 1jnk by Molmil
THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP
Descriptor: C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Xie, X, Su, M.S.-S.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
1TAF
DownloadVisualize
BU of 1taf by Molmil
DROSOPHILA TBP ASSOCIATED FACTORS DTAFII42/DTAFII62 HETEROTETRAMER
Descriptor: TFIID TBP ASSOCIATED FACTOR 42, TFIID TBP ASSOCIATED FACTOR 62, ZINC ION
Authors:Xie, X, Kokubo, T, Cohen, S.L, Mirza, U.A, Hoffmann, A, Chait, B.T, Roeder, R.G, Nakatani, Y, Burley, S.K.
Deposit date:1996-06-01
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural similarity between TAFs and the heterotetrameric core of the histone octamer.
Nature, 380, 1996
1TKQ
DownloadVisualize
BU of 1tkq by Molmil
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl
Descriptor: GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID
Authors:Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U.
Deposit date:2004-06-09
Release date:2004-07-13
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
5SVF
DownloadVisualize
BU of 5svf by Molmil
IDH1 R132H in complex with IDH125
Descriptor: (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-05
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVO
DownloadVisualize
BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-06
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVN
DownloadVisualize
BU of 5svn by Molmil
Structure of IDH2 mutant R172K
Descriptor: DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-06
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
6KR4
DownloadVisualize
BU of 6kr4 by Molmil
Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex
Descriptor: HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ...
Authors:Xie, X, Liang, M, Luo, L, Wei, Z.
Deposit date:2019-08-20
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity.
Nat Commun, 11, 2020
1PME
DownloadVisualize
BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
Authors:Xie, X.
Deposit date:1998-06-08
Release date:1999-06-08
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
1SCM
DownloadVisualize
BU of 1scm by Molmil
STRUCTURE OF THE REGULATORY DOMAIN OF SCALLOP MYOSIN AT 2.8 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, MYOSIN HEAVY CHAIN, ...
Authors:Cohen, C, Xie, X.
Deposit date:1994-01-06
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the regulatory domain of scallop myosin at 2.8 A resolution.
Nature, 368, 1994
3SV1
DownloadVisualize
BU of 3sv1 by Molmil
Crystal structure of APP peptide bound rat Mint2 PARM
Descriptor: Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
Authors:Shen, Y, Long, J, Yan, X, Xie, X.
Deposit date:2011-07-12
Release date:2012-07-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
3SUZ
DownloadVisualize
BU of 3suz by Molmil
Crystal structure of Rat Mint2 PPC
Descriptor: Amyloid beta A4 precursor protein-binding family A member 2
Authors:Shen, Y, Long, J, Yan, X, Xie, X.
Deposit date:2011-07-11
Release date:2012-07-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
5TF9
DownloadVisualize
BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
2MXP
DownloadVisualize
BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
Authors:Pan, L, Xie, X.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
5TQH
DownloadVisualize
BU of 5tqh by Molmil
IDH1 R132H mutant in complex with IDH889
Descriptor: (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, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-10-24
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
5WE8
DownloadVisualize
BU of 5we8 by Molmil
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)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
3G90
DownloadVisualize
BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
Descriptor: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Xie, X, Jacobs, M.D.
Deposit date:2009-02-12
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2OJG
DownloadVisualize
BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
DownloadVisualize
BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
DownloadVisualize
BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
DownloadVisualize
BU of 2ojj by Molmil
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
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
4IEH
DownloadVisualize
BU of 4ieh by Molmil
Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions
Descriptor: 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
Authors:Xie, X, Kulathila, R.
Deposit date:2012-12-13
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.
ACS Med Chem Lett, 4, 2013
5WDY
DownloadVisualize
BU of 5wdy by Molmil
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)
Descriptor: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-06
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon