1PXM
 
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXN
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXO
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1S4R
 | | Structure of a reaction intermediate in the photocycle of PYP extracted by a SVD-driven analysis | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | Deposit date: | 2004-01-17 | | Release date: | 2004-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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1S4S
 | | Reaction Intermediate in the Photocycle of PYP, intermediate occupied between 100 micro-seconds to 5 milli-seconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | Deposit date: | 2004-01-17 | | Release date: | 2004-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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1T1B
 | | Late intermediate IL2 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1C
 | | Late intermediate IL3 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T18
 | | Early intermediate IE1 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T19
 | | Early intermediate IE2 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1A
 | | Late intermediate IL1 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1TS0
 | | Structure of the pB1 intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TS6
 | | Structure of the pB2 intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TS8
 | | Structure of the pR cis planar intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2SGE
 | | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
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1SGN
 | | ASN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with
Streptomyces griseus Protease B at Various pHs
To be Published
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1SGY
 | | TYR 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
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1DS2
 | | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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1SGD
 | | ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
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1SGE
 | | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
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1CSO
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CT0
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CT2
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CT4
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1DS3
 | | CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I | | Descriptor: | OVOMUCOID | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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