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4M0Y
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 1 [4-(CARBAMOYLAMINO)-1-(NAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 5 {4-(CARBAMOYLAMINO)-1-(7-METHOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE}
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 7 [4-(CARBAMOYLAMINO)-1-(7-ETHOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 8 [4-(CARBAMOYLAMINO)-1-(7-PROPOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M14
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 9 [4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1-YL]-1H-PYRAZOLE-3-CARBOXAMIDE]
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 9 [4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1-YL]-1H-PYRAZOLE-3-CARBOXAMIDE] AND ADP
分子名称:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE
著者Han, S., Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2014-06-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
5GWO
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CRYSTAL STRUCTURE OF RCAR3:PP2C S265F/I267M WITH (+)-ABA
分子名称:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S., Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.816 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5GWP
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CRYSTAL STRUCTURE OF RCAR3:PP2C WILD-TYPE WITH (+)-ABA
分子名称:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S., Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.577 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5ZCU
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CRYSTAL STRUCTURE OF RCAR3:PP2C WILD-TYPE WITH PYRABACTIN
分子名称:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S., Lee, Y., Lee, S.
登録日2018-02-20
公開日2019-03-06
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structural determinants for pyrabactin recognition in ABA receptors in Oryza sativa.
Plant Mol.Biol., 100, 2019
1G24
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THE CRYSTAL STRUCTURE OF EXOENZYME C3 FROM CLOSTRIDIUM BOTULINUM
分子名称:EXOENZYME C3
著者Han, S., Arvai, A.S., Clancy, S.B., Tainer, J.A.
登録日2000-10-16
公開日2000-12-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and novel recognition motif of rho ADP-ribosylating C3 exoenzyme from Clostridium botulinum: structural insights for recognition specificity and catalysis.
J.Mol.Biol., 305, 2001
1HAN
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CRYSTAL STRUCTURE OF THE BIPHENYL-CLEAVING EXTRADIOL DIOXYGENASE FROM A PCB-DEGRADING PSEUDOMONAD
分子名称:2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, FE (III) ION, TERTIARY-BUTYL ALCOHOL
著者Han, S., Bolin, J.T.
登録日1995-08-30
公開日1995-11-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the biphenyl-cleaving extradiol dioxygenase from a PCB-degrading pseudomonad.
Science, 270, 1995
1QS1
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CRYSTAL STRUCTURE OF VEGETATIVE INSECTICIDAL PROTEIN2 (VIP2)
分子名称:ADP-RIBOSYLTRANSFERASE
著者Han, S., Craig, J.A., Putnam, C.D., Carozzi, N.B., Tainer, J.A.
登録日1999-06-25
公開日1999-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
1QS2
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CRYSTAL STRUCTURE OF VIP2 WITH NAD
分子名称:ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Han, S., Craig, J.A., Putnam, C.D., Carozzi, N.B., Tainer, J.A.
登録日1999-06-25
公開日1999-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
2H29
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CRYSTAL STRUCTURE OF NICOTINIC ACID MONONUCLEOTIDE ADENYLYLTRANSFERASE FROM STAPHYLOCOCCUS AUREUS: PRODUCT BOUND FORM 1
分子名称:Probable nicotinate-nucleotide adenylyltransferase, NICOTINIC ACID ADENINE DINUCLEOTIDE
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
2H2A
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CRYSTAL STRUCTURE OF NICOTINIC ACID MONONUCLEOTIDE ADENYLYLTRANSFERASE FROM STAPHYLOCOCCUS AUREUS: PRODUCT BOUND FORM 2
分子名称:Probable nicotinate-nucleotide adenylyltransferase, CALCIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
2QLU
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CRYSTAL STRUCTURE OF ACTIVIN RECEPTOR TYPE II KINASE DOMAIN FROM HUMAN
分子名称:Activin receptor type IIB, SULFATE ION, ADENINE
著者Han, S.
登録日2007-07-13
公開日2007-11-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Protein Sci., 16, 2007
3FZO
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CRYSTAL STRUCTURE OF PYK2-APO, PROLINE-RICH TYROSINE KINASE
分子名称:Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZP
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CRYSTAL STRUCTURE OF PYK2 COMPLEXED WITH ATPGS
分子名称:Protein tyrosine kinase 2 beta, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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CRYSTAL STRUCTURE OF PYK2 COMPLEXED WITH PF-431396
分子名称:Protein tyrosine kinase 2 beta, N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZS
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CRYSTAL STRUCTURE OF PYK2 COMPLEXED WITH BIRB796
分子名称:Protein tyrosine kinase 2 beta, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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CRYSTAL STRUCTURE OF PYK2 COMPLEXED WITH PF-4618433
分子名称:Protein tyrosine kinase 2 beta, 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3JSL
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CRYSTAL STRUCTURE OF THE ADENYLATION DOMAIN OF NAD+-DEPENDENT DNA LIGASE FROM STAPHYLOCOCCUS AUREUS
分子名称:DNA ligase, SULFATE ION
著者Han, S., Chang, J.S., Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
3JSN
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CRYSTAL STRUCTURE OF THE ADENYLATION DOMAIN OF NAD+-DEPENDENT DNA LIGASE FROM STAPHYLOCOCCUS AUREUS
分子名称:DNA ligase
著者Han, S., Chang, J.S., Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
3PBN
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CRYSTAL STRUCTURE OF APO PBP3 FROM PSEUDOMONAS AERUGINOSA
分子名称:Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBO
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CRYSTAL STRUCTURE OF PBP3 COMPLEXED WITH CEFTAZIDIME
分子名称:Penicillin-binding protein 3, ACYLATED CEFTAZIDIME
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010