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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]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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}
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2 Å)
Cite: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]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite: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
Descriptor:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S., Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.816 Å)
Cite: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
Descriptor:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S., Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.577 Å)
Cite: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
Descriptor:Probable protein phosphatase 2C 50, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S., Lee, Y., Lee, S.
Deposit date:2018-02-20
Release date:2019-03-06
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural determinants for pyrabactin recognition in ABA receptors in Oryza sativa.
Plant Mol. Biol., 2019
1G24
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THE CRYSTAL STRUCTURE OF EXOENZYME C3 FROM CLOSTRIDIUM BOTULINUM
Descriptor:EXOENZYME C3
Authors:Han, S., Arvai, A.S., Clancy, S.B., Tainer, J.A.
Deposit date:2000-10-16
Release date:2000-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, FE (III) ION, TERTIARY-BUTYL ALCOHOL
Authors:Han, S., Bolin, J.T.
Deposit date:1995-08-30
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor:ADP-RIBOSYLTRANSFERASE
Authors:Han, S., Craig, J.A., Putnam, C.D., Carozzi, N.B., Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor:ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Han, S., Craig, J.A., Putnam, C.D., Carozzi, N.B., Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:Probable nicotinate-nucleotide adenylyltransferase, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Probable nicotinate-nucleotide adenylyltransferase, CALCIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:Activin receptor type IIB, SULFATE ION, ADENINE
Authors:Han, S.
Deposit date:2007-07-13
Release date:2007-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:Protein tyrosine kinase 2 beta, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: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
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: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
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: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
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor:DNA ligase, SULFATE ION
Authors:Han, S., Chang, J.S., Griffor, M.
Deposit date:2009-09-10
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:DNA ligase
Authors:Han, S., Chang, J.S., Griffor, M.
Deposit date:2009-09-10
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:Penicillin-binding protein 3
Authors:Han, S.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Penicillin-binding protein 3, ACYLATED CEFTAZIDIME
Authors:Han, S.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010