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7SA5
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BU of 7sa5 by Molmil
Two-state solution NMR structure of Apo Pin1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-09-22
Release date:2021-10-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
7SUR
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BU of 7sur by Molmil
Two-state solution NMR structure of Pin1 bound to peptide pCDC25c
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
7SUQ
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BU of 7suq by Molmil
Two-state solution NMR structure of Pin1 bound to peptide FFpSPR
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
2F21
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BU of 2f21 by Molmil
human Pin1 Fip mutant
Descriptor: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jager, M, Zhang, Y, Bowman, M.E, Noel, J.P, Kelly, J.W.
Deposit date:2005-11-15
Release date:2006-06-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3TC5
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BU of 3tc5 by Molmil
Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives
Descriptor: (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T.
Deposit date:2011-08-08
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives.
Acs Chem.Biol., 6, 2011
2ITK
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BU of 2itk by Molmil
human Pin1 bound to D-PEPTIDE
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, D-Peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Noel, J.P, Zhang, Y.
Deposit date:2006-10-19
Release date:2007-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
3TDB
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BU of 3tdb by Molmil
Human Pin1 bound to trans peptidomimetic inhibitor
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Zhang, M, Zhang, Y.
Deposit date:2011-08-10
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
3TCZ
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BU of 3tcz by Molmil
Human Pin1 bound to cis peptidomimetic inhibitor
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Zhang, M, Zhang, Y.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
3OOB
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BU of 3oob by Molmil
Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate
Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z.
Deposit date:2010-08-30
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1.
Cancer Prev Res (Phila), 4, 2011
7EFX
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BU of 7efx by Molmil
Crystal Structure of human PIN1 complexed with covalent inhibitor
Descriptor: 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J, Zhu, R, Pei, Y.
Deposit date:2021-03-23
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EKV
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BU of 7ekv by Molmil
Crystal Structure of human Pin1 complexed with a covalent inhibitor
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-04-06
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EFJ
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BU of 7efj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-03-21
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
3ODK
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BU of 3odk by Molmil
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
Deposit date:2010-08-11
Release date:2010-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.
Bioorg.Med.Chem.Lett., 20, 2010
1NMV
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BU of 1nmv by Molmil
Solution structure of human Pin1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Bayer, E, Goettsch, S, Mueller, J.W, Griewel, B, Guiberman, E, Mayr, L, Bayer, P.
Deposit date:2003-01-11
Release date:2003-08-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Analysis of the Mitotic Regulator hPin1 in Solution: INSIGHTS INTO DOMAIN ARCHITECTURE AND SUBSTRATE BINDING.
J.Biol.Chem., 278, 2003
1PIN
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BU of 1pin by Molmil
PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ...
Authors:Noel, J.P, Ranganathan, R, Hunter, T.
Deposit date:1998-06-21
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent.
Cell(Cambridge,Mass.), 89, 1997
4QIB
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BU of 4qib by Molmil
Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
Authors:Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H.
Deposit date:2014-05-30
Release date:2015-02-04
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (1.865 Å)
Cite:Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1.
Biochim.Biophys.Acta, 1852, 2015
4U85
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BU of 4u85 by Molmil
Human Pin1 with cysteine sulfinic acid 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
4U86
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BU of 4u86 by Molmil
Human Pin1 with cysteine sulfonic acid 113
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
4U84
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BU of 4u84 by Molmil
Human Pin1 with S-hydroxyl-cysteine 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
2Q5A
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BU of 2q5a by Molmil
human Pin1 bound to L-PEPTIDE
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Noel, J.P, Zhang, Y.
Deposit date:2007-05-31
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
3KAH
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BU of 3kah by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KAI
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BU of 3kai by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KAD
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BU of 3kad by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KAF
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BU of 3kaf by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KAB
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BU of 3kab by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 6-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010

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