Molecular Basis of Bcl-X(L)-p53 Interaction: Insights from Molecular Dynamics Simulations

Por Bharatham, Nagakumar, Chi, Seung-Wook, Yoon, Ho Sup
Publicado em 2011

Ligand binding mode prediction by docking: Mdm2/Mdmx inhibitors as a case study

Por Bharatham, Nagakumar, Bharatham, Kavitha, Shelat, Anang A., Bashford, Donald
Publicado no J Chem Inf Model (2014)

Delineating Substrate Diversity of Disparate Short-Chain Dehydrogenase Reductase from Debaryomyces hansenii

Por Ghatak, Arindam, Bharatham, Nagakumar, Shanbhag, Anirudh P., Datta, Santanu, Venkatraman, Janani
Publicado no PLoS One (2017)

NMR and crystallographic structures of the FK506 binding domain of human malarial parasite Plasmodium vivax FKBP35

Por Alag, Reema, Qureshi, Insaf A, Bharatham, Nagakumar, Shin, Joon, Lescar, Julien, Yoon, Ho Sup
Publicado em 2010

The Natively Disordered Loop of Bcl-2 Undergoes Phosphorylation-Dependent Conformational Change and Interacts with Pin1

Por Kang, CongBao, Bharatham, Nagakumar, Chia, Joel, Mu, Yuguang, Baek, Kwanghee, Yoon, Ho Sup
Publicado em 2012

Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of Mdmx

Por Bharatham, Nagakumar, Finch, Kristin E., Min, Jaeki, Mayasundair, Anand, Dyer, Michael A., Guy, R. Kiplin, Bashford, Donald
Publicado no J Mol Graph Model (2017)

Analysis of the active site mechanism of Tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily

Por Gajewski, Stefan, Comeaux, Evan Q., Jafari, Nauzanene, Bharatham, Nagakumar, Bashford, Donald, White, Stephen W., van Waardenburg, Robert C.A.M.
Publicado em 2011

Crystallographic structure of the tetratricopeptide repeat domain of Plasmodium falciparum FKBP35 and its molecular interaction with Hsp90 C-terminal pentapeptide

Por Alag, Reema, Bharatham, Nagakumar, Dong, Aiping, Hills, Tanya, Harikishore, Amaravadhi, Widjaja, Anissa Anindya, Shochat, Susana Geifman, Hui, Raymond, Yoon, Ho Sup
Publicado em 2009

Macro Histone H2A1.2 (MacroH2A1) Protein Suppresses Mitotic Kinase VRK1 during Interphase

Por Kim, Wanil, Chakraborty, Goutam, Kim, Sangjune, Shin, Joon, Park, Choon-Ho, Jeong, Min-Woo, Bharatham, Nagakumar, Yoon, Ho Sup, Kim, Kyong-Tai
Publicado em 2012

NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity

Por Shin, Joon, Chakraborty, Goutam, Bharatham, Nagakumar, Kang, CongBao, Tochio, Naoya, Koshiba, Seizo, Kigawa, Takanori, Kim, Wanil, Kim, Kyong-Tai, Yoon, Ho Sup
Publicado em 2011

Mechanistic insights into non-immunosuppressive immunophilin ligands as potential antimalarial therapeutics

Por Preiser Peter, Bozdech Zbynek, Shin Joon, Bharatham Nagakumar, Qureshi Insaf A, Kotaka Masayo, Ye Hong, Kang Congbao, Alag Reema, Yoon Ho Sup, Lescar Julien
Publicado em 2010-10-01

Mechanistic insights into non-immunosuppressive immunophilin ligands as potential antimalarial therapeutics

Por Yoon, Ho Sup, Alag, Reema, Kang, Congbao, Ye, Hong, Kotaka, Masayo, Qureshi, Insaf A, Bharatham, Nagakumar, Shin, Joon, Bozdech, Zbynek, Preiser, Peter, Lescar, Julien
Publicado em 2010

A strategy to identify a ketoreductase that preferentially synthesizes pharmaceutically relevant (S)-alcohols using whole-cell biotransformation

Por Haq, Saiful F., Shanbhag, Anirudh P., Karthikeyan, Subbulakshmi, Hassan, Imran, Thanukrishnan, Kannan, Ashok, Abhishek, Sukumaran, Sunilkumar, Ramaswamy, S., Bharatham, Nagakumar, Datta, Santanu, Samant, Shalaka, Katagihallimath, Nainesh
Publicado no Microb Cell Fact (2018)

Monitoring ligand-induced protein ordering in drug discovery

Por Grace, Christy R, Ban, David, Min, Jaeki, Mayasundari, Anand, Min, Lie, Finch, Kristin E, Griffiths, Lyra, Bharatham, Nagakumar, Bashford, Donald, Guy, R. Kiplin, Dyer, Michael A., Kriwacki, Richard W.
Publicado no J Mol Biol (2016)

Suprafenacine, an Indazole-Hydrazide Agent, Targets Cancer Cells Through Microtubule Destabilization

Por Choi, Bo-Hwa, Chattopadhaya, Souvik, Thanh, Le Nguyen, Feng, Lin, Nguyen, Quoc Toan, Lim, Chuan Bian, Harikishore, Amaravadhi, Nanga, Ravi Prakash Reddy, Bharatham, Nagakumar, Zhao, Yan, Liu, Xuewei, Yoon, Ho Sup
Publicado em 2014

Correction: Suprafenacine, an Indazole-Hydrazide Agent, Targets Cancer Cells Through Microtubule Destabilization

Por Choi, Bo-Hwa, Chattopadhaya, Souvik, Thanh, Le Nguyen, Feng, Lin, Nguyen, Quoc Toan, Lim, Chuan Bian, Harikishore, Amaravadhi, Nanga, Ravi Prakash Reddy, Bharatham, Nagakumar, Zhao, Yan, Liu, Xuewei, Yoon, Ho Sup
Publicado no PLoS One (2018)

Nitrothiophene carboxamides, a novel narrow spectrum antibacterial series: Mechanism of action and Efficacy

Por Hameed P, Shahul, Bharatham, Nagakumar, Katagihallimath, Nainesh, Sharma, Sreevalli, Nandishaiah, Radha, Shanbhag, Anirudh P., Thomas, Teby, Narjari, Riya, Sarma, Maitrayee, Bhowmik, Purnendu, Amar, Prakruthi, Ravishankar, Rajani, Jayaraman, Ramesh, Muthan, Kubendran, Subbiah, Ramesh, Ramachandran, Vasanthi, Balasubramanian, V., Datta, Santanu
Publicado no Sci Rep (2018)

PI(3)P-bound UVRAG coordinates Golgi-ER retrograde and Atg9 transport by differential interactions with the ER tether and the Beclin1 complex

Por He, Shanshan, Ni, Duojiao, Ma, Binyun, Lee, Joo-Hyung, Zhang, Tian, Ghozalli, Irene, Pirooz, Sara Dolatshahi, Zhao, Zhen, Bharatham, Nagakumar, Li, Baihong, Oh, Soohwan, Lee, Wen-Hwa, Takahashi, Yoshinori, Wang, Hong-Gang, Minassian, Arlet, Feng, Pinghui, Deretic, Vojo, Pepperkok, Rainer, Tagaya, Mitsuo, Yoon, Ho Sup, Liang, Chengyu
Publicado em 2013

Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors

Por Shadrick, William R., Slavish, Peter J., Chai, Sergio C., Waddell, Brett, Connelly, Michele, Low, Jonathan A., Tallant, Cynthia, Young, Brandon M., Bharatham, Nagakumar, Knapp, Stefan, Boyd, Vincent A., Morfouace, Marie, Roussel, Martine F., Chen, Taosheng, Lee, Richard E., Guy, R. Kiplin, Shelat, Anang A., Potter, Philip M.
Publicado no Bioorg Med Chem (2017)