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3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3JYJ
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BU of 3jyj by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (II)
Descriptor: (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2009-09-21
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
3KAC
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BU of 3kac by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)propanoic acid, 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 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
1M5Y
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BU of 1m5y by Molmil
Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Outer Membrane Porin Folding
Descriptor: Survival protein surA
Authors:Bitto, E, McKay, D.B.
Deposit date:2002-07-10
Release date:2002-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Folding of Outer Membrane Porins
Structure, 10, 2002
2PV3
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BU of 2pv3 by Molmil
Crystallographic Structure of SurA fragment lacking the second peptidyl-prolyl isomerase domain complexed with peptide NFTLKFWDIFRK
Descriptor: C-peptide, Chaperone surA
Authors:Xu, X, McKay, D.B.
Deposit date:2007-05-09
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues.
J.Mol.Biol., 373, 2007
7KKF
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BU of 7kkf by Molmil
Crystal Structure of S. cerevisiae Ess1
Descriptor: Peptidyl-prolyl cis-trans isomerase ESS1
Authors:Namitz, K.E.W, Alicea-Velazquez, N.L, Cosgrove, M.S, Hanes, S.D.
Deposit date:2020-10-27
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure analysis suggests Ess1 isomerizes the carboxy-terminal domain of RNA polymerase II via a bivalent anchoring mechanism.
Commun Biol, 4, 2021
1F8A
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BU of 1f8a by Molmil
STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, Y(SEP)PT(SEP)S PEPTIDE
Authors:Verdecia, M.A, Bowman, M.E, Lu, K.P, Hunter, T, Noel, J.P.
Deposit date:2000-06-29
Release date:2000-08-23
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for phosphoserine-proline recognition by group IV WW domains.
Nat.Struct.Biol., 7, 2000
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
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
1YW5
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BU of 1yw5 by Molmil
Peptidyl-prolyl isomerase ESS1 from Candida albicans
Descriptor: peptidyl prolyl cis/trans isomerase
Authors:Li, Z, Li, H, Devasahayam, G, Gemmill, T, Chaturvedi, V, Hanes, S.D, Van Roey, P.
Deposit date:2005-02-17
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Structure of the Candida albicans Ess1 Prolyl Isomerase Reveals a Well-Ordered Linker that Restricts Domain Mobility
Biochemistry, 44, 2005
1ZCN
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BU of 1zcn by Molmil
human Pin1 Ng mutant
Descriptor: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jager, M, Zhang, Y, Nguyen, H, Dendel, G, Bowman, M.E, Gruebele, M, Noel, J.P, Kelly, J.W.
Deposit date:2005-04-12
Release date:2006-06-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8HM3
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BU of 8hm3 by Molmil
Complex of PPIase-BfUbb
Descriptor: GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ...
Authors:Xu, J.H, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
5UY9
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BU of 5uy9 by Molmil
Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Dong, S.-H, Nair, S.
Deposit date:2017-02-23
Release date:2017-04-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
6O34
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BU of 6o34 by Molmil
Crystal Structure Analysis of PIN1
Descriptor: GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure Analysis of PIN1
To be Published
6O33
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BU of 6o33 by Molmil
Crystal Structure Analysis of PIN1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure Analysis of PIN1
To be Published
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:2022-02-23
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
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
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
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
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
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:2023-06-14
Method:SOLUTION NMR
Cite:Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
3NTP
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BU of 3ntp by Molmil
Human Pin1 complexed with reduced amide inhibitor
Descriptor: (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Zhang, Y.
Deposit date:2010-07-05
Release date:2012-01-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
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
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
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:2023-07-26
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
2F21
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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

217705

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