Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1)

Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo

(2021) Christian Dubiella et al.   Nature Chemical Biology

Discovery of a subtype-selective, covalent inhibitor against palmitoylation pocket of TEAD3

(2021) Tian Lu et al.   Acta Pharmaceutica Sinica B

Targeting Pin1 renders pancreatic cancer eradicable by synergizing with immunochemotherapy

(2021) Kazuhiro Koikawa et al.   CELL

Identification of a potent and selective covalent Pin1 inhibitor

(2020) Benika J. Pinch et al.   Nature Chemical Biology

Function of PIN1 in Cancer Development and Its Inhibitors as Cancer Therapeutics

(2020) Ji Hoon Yu et al.   Frontiers in Cell and Developmental Biology

Rho Family Proteins: Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion (Adv. Sci. 14/2020)

(2020) Zhongya Sun et al.   Advanced Science

The protein complex crystallography beamline (BL19U1) at the Shanghai Synchrotron Radiation Facility

(2019) Wei-Zhe Zhang et al.   Nuclear Science and Techniques

Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72

(2019) Jonathan Pettinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

(2018) Johannes Schiebel et al.   Nature Communications

Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells

(2018) Shingo Kozono et al.   Nature Communications

A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action

(2017) Elena Campaner et al.   Nature Communications

PIN1 in breast development and cancer: a clinical perspective

(2016) Alessandra Rustighi et al.   CELL DEATH AND DIFFERENTIATION

A Perspective on the Kinetics of Covalent and Irreversible Inhibition

(2016) John M. Strelow   SLAS Discovery

Active Pin1 is a key target of all-trans retinoic acid in acute promyelocytic leukemia and breast cancer

(2015) Shuo Wei et al.   NATURE MEDICINE

Pre-Anchoring of Pin1 to Unphosphorylated c-Myc in a Fuzzy Complex Regulates c-Myc Activity

(2015) Sara Helander et al.   STRUCTURE

Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket

(2014) Chuangxing Guo et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring

(2014) Kai Zhu et al.   Journal of Chemical Information and Modeling

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Prolyl-isomerase Pin1 controls normal and cancer stem cells of the breast

(2013) Alessandra Rustighi et al.   EMBO Molecular Medicine

Pin1 Regulates the Dynamics of c-Myc DNA Binding To Facilitate Target Gene Regulation and Oncogenesis

(2013) A. S. Farrell et al.   MOLECULAR AND CELLULAR BIOLOGY

Pin1 modulates ERα levels in breast cancer through inhibition of phosphorylation-dependent ubiquitination and degradation

(2013) P Rajbhandari et al.   ONCOGENE

Inhibitor Mediated Protein Degradation

(2012) Marcus J.C. Long et al.   CHEMISTRY & BIOLOGY

The Methionine-aromatic Motif Plays a Unique Role in Stabilizing Protein Structure

(2012) Christopher C. Valley et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

FOXC1 regulates the functions of human basal-like breast cancer cells by activating NF-κB signaling

(2012) J Wang et al.   ONCOGENE

A Reduced-Amide Inhibitor of Pin1 Binds in a Conformation Resembling a Twisted-Amide Transition State

(2011) Guoyan G. Xu et al.   BIOCHEMISTRY

A Pin1/Mutant p53 Axis Promotes Aggressiveness in Breast Cancer

(2011) Javier E. Girardini et al.   CANCER CELL

Epigallocatechin-gallate Suppresses Tumorigenesis by Directly Targeting Pin1

(2011) D. V. Urusova et al.   Cancer Prevention Research

Peptidyl-prolyl cis–trans isomerase Pin1 in ageing, cancer and Alzheimer disease

(2011) Tae Ho Lee et al.   EXPERT REVIEWS IN MOLECULAR MEDICINE

Integration, scaling, space-group assignment and post-refinement

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structure-based design of novel human Pin1 inhibitors (II)

(2010) Liming Dong et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structure-based design of novel human Pin1 inhibitors (I)

(2009) Chuangxing Guo et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Structure-guided design of α-amino acid-derived Pin1 inhibitors

(2009) Andrew J. Potter et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Peptidyl-prolyl cis/trans isomerase Pin1 is critical for the regulation of PKB/Akt stability and activation phosphorylation

(2009) Y Liao et al.   ONCOGENE

Pin1 overexpression is associated with poor differentiation and survival in oral squamous cell carcinoma

(2009) Lu   ONCOLOGY REPORTS

Down-regulation of Myeloid Cell Leukemia-1 through Inhibiting Erk/Pin 1 Pathway by Sorafenib Facilitates Chemosensitization in Breast Cancer

(2008) Q. Ding et al.   CANCER RESEARCH

Thermodynamic consequences of disrupting a water-mediated hydrogen bond network in a protein:pheromone complex

(2004) Scott D. Sharrow et al.   PROTEIN SCIENCE