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7THI
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BU of 7thi by Molmil
Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
著者Clark, K.L, Kulathila, R, Wright, K, Isome, Y, Sage, D, Yang, Y, Christodoulou, C.
登録日2022-01-11
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
To Be Published
1E17
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BU of 1e17 by Molmil
Solution structure of the DNA binding domain of the human Forkhead transcription factor AFX (FOXO4)
分子名称: AFX
著者Weigelt, J, Climent, I, Dahlman-Wright, K, Wikstrom, M.
登録日2000-04-25
公開日2000-08-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H, 13C and 15N Resonance Assignments of the DNA Binding Domain of the Human Forkhead Transcription Factor Afx
J.Biomol.NMR, 17, 2000
1GDC
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BU of 1gdc by Molmil
REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN
分子名称: GLUCOCORTICOID RECEPTOR, ZINC ION
著者Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T.
登録日1994-03-15
公開日1994-06-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
2GDA
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BU of 2gda by Molmil
REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN
分子名称: GLUCOCORTICOID RECEPTOR, ZINC ION
著者Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T.
登録日1994-03-15
公開日1994-06-22
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6UJ9
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BU of 6uj9 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B.
登録日2019-10-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
3D9T
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BU of 3d9t by Molmil
CIAP1-BIR3 in complex with N-terminal peptide from Caspase-9 (ATPFQE)
分子名称: Baculoviral IAP repeat-containing protein 2, Caspase-9, ZINC ION
著者Kulathila, R, Price, A.
登録日2008-05-27
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
3D9U
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BU of 3d9u by Molmil
The BIR3 domain of cIAP1 in complex with the N terminal peptide from SMAC/DIABLO (AVPIAQ).
分子名称: Baculoviral IAP repeat-containing protein 2, SMAC/DIABLO, ZINC ION
著者Kulathila, R, Price, A.
登録日2008-05-27
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
5SUN
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BU of 5sun by Molmil
IDH1 R132H in complex with IDH146
分子名称: 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Xie, X, Kulathila, R.
登録日2016-08-03
公開日2017-02-08
最終更新日2024-03-06
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
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BU of 5svf by Molmil
IDH1 R132H in complex with IDH125
分子名称: (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, ...
著者Xie, X, Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2024-03-06
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
5SVO
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BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
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
5SVN
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BU of 5svn by Molmil
Structure of IDH2 mutant R172K
分子名称: DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
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
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016

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件を2024-05-22に公開中

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