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1LQF
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BU of 1lqf by Molmil
Structure of PTP1b in Complex with a Peptidic Bisphosphonate Inhibitor
Descriptor: N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE, protein-tyrosine phosphatase, non-receptor type 1
Authors:Asante-Appiah, E, Patel, S, Dufresne, C, Scapin, G.
Deposit date:2002-05-10
Release date:2002-07-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of PTP-1B in complex with a peptide inhibitor reveals an alternative binding mode for bisphosphonates.
Biochemistry, 41, 2002
2FJM
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BU of 2fjm by Molmil
The structure of phosphotyrosine phosphatase 1B in complex with compound 2
Descriptor: (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Scapin, G.
Deposit date:2006-01-03
Release date:2006-01-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.
J.Biol.Chem., 281, 2006
2FJN
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BU of 2fjn by Molmil
The structure of phosphotyrosine phosphatase 1B in complex with compound 2
Descriptor: (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ...
Authors:Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G.
Deposit date:2006-01-03
Release date:2006-01-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.
J.Biol.Chem., 281, 2006
1I57
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BU of 1i57 by Molmil
CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHO-TYROSINE PHOSPHATASE 1B
Authors:Scapin, G, Patel, S, Patel, V, Kennedy, B, Asante-Appiah, E.
Deposit date:2001-02-26
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S --> O change.
Protein Sci., 10, 2001
2F6F
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BU of 2f6f by Molmil
The structure of the S295F mutant of human PTP1B
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ...
Authors:Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P.
Deposit date:2005-11-29
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
1PA1
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BU of 1pa1 by Molmil
Crystal structure of the C215D mutant of protein tyrosine phosphatase 1B
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
Authors:Romsicki, Y, Scapin, G, Beaulieu-Audy, V, Patel, S.B, Becker, J.W, Kennedy, B, Asante-Appiah, E.
Deposit date:2003-05-13
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional characterization and crystal structure of the C215D mutant of protein-tyrosine phosphatase-1B
J.Biol.Chem., 278, 2003
1Q6M
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BU of 1q6m by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 3
Descriptor: Protein-tyrosine phosphatase, non-receptor type 1, {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6P
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BU of 1q6p by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 6
Descriptor: 4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID, CHLORIDE ION, Protein-tyrosine phosphatase, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6J
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BU of 1q6j by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 2
Descriptor: Protein-tyrosine phosphatase, non-receptor type 1, [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6T
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BU of 1q6t by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 11
Descriptor: 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6N
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BU of 1q6n by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 4
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6S
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BU of 1q6s by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 9
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID, CHLORIDE ION, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y.
Deposit date:2013-10-24
Release date:2014-02-12
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014

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