6KRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6krb by Molmil](/molmil-images/mine/6krb) | High resolution crystal structure of an Acylphosphatase protein cage | Descriptor: | Acylphosphatase, GLYCEROL, SULFATE ION | Authors: | Chatterjee, S, Nath, S, Sen, U. | Deposit date: | 2019-08-21 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.375 Å) | Cite: | High resolution structure of Vibrio cholerae acylphosphatase (VcAcP) cage: Identification of drugs, location of its binding site and engineering to facilitate cage formation. Biochem.Biophys.Res.Commun., 523, 2020
|
|
5Z3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z3m by Molmil](/molmil-images/mine/5z3m) | Crystal structure of Low Molecular Weight Phosphotyrosine phosphatase (VcLMWPTP-2) from Vibrio choleraeO395 | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Phosphotyrosine protein phosphatase, ... | Authors: | Chatterjee, S, Nath, S, Sen, U. | Deposit date: | 2018-01-08 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Vibrio cholerae LMWPTP-2 display unique surface charge and grooves around the active site: Indicative of distinctive substrate specificity and scope to design specific inhibitor. Biochim Biophys Acta Proteins Proteom, 1867, 2019
|
|
3NZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nzz by Molmil](/molmil-images/mine/3nzz) | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
|
|
3O00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o00 by Molmil](/molmil-images/mine/3o00) | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
|
|
3O02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o02 by Molmil](/molmil-images/mine/3o02) | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate | Descriptor: | CHENODEOXYCHOLIC ACID, Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
|
|
3O01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o01 by Molmil](/molmil-images/mine/3o01) | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
|
|
8STD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8std by Molmil](/molmil-images/mine/8std) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2 | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-10 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis. Biochemistry, 62, 2023
|
|
8SOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8soq by Molmil](/molmil-images/mine/8soq) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-04-29 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis. Biochemistry, 62, 2023
|
|
8STC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8stc by Molmil](/molmil-images/mine/8stc) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-09 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. To be published
|
|
8UC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uc2 by Molmil](/molmil-images/mine/8uc2) | Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, BENZOIC ACID, ... | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R. | Deposit date: | 2023-09-25 | Release date: | 2023-10-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme. Biochemistry, 63, 2024
|
|
7FDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fds by Molmil](/molmil-images/mine/7fds) | High resolution crystal structure of LpqH from Mycobacterium tuberculosis | Descriptor: | Lipoprotein LpqH | Authors: | Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A. | Deposit date: | 2021-07-17 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.258 Å) | Cite: | High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface. Int.J.Biol.Macromol., 210, 2022
|
|
5YGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ygg by Molmil](/molmil-images/mine/5ygg) | Crystal structure of Fructokinase Double-Mutant (T261C-H108C) from Vibrio cholerae O395 in fructose, ADP and potassium ion bound form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ... | Authors: | Chatterjee, S, Paul, R, Nath, S, Sen, U. | Deposit date: | 2017-09-22 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.671 Å) | Cite: | Large-scale conformational changes and redistribution of surface negative charge upon sugar binding dictate the fidelity of phosphorylation in Vibrio cholerae fructokinase. Sci Rep, 8, 2018
|
|
7MJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mj1 by Molmil](/molmil-images/mine/7mj1) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | Deposit date: | 2021-04-19 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.402 Å) | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mj2 by Molmil](/molmil-images/mine/7mj2) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | Deposit date: | 2021-04-19 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mj0 by Molmil](/molmil-images/mine/7mj0) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | Deposit date: | 2021-04-19 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ldk by Molmil](/molmil-images/mine/7ldk) | Structure of human respiratory syncytial virus nonstructural protein 2 (NS2) | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, Non-structural protein 2 | Authors: | Chatterjee, S, Borek, D, Otwinowski, Z, Amarasinghe, G.K, Leung, D.W. | Deposit date: | 2021-01-13 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural basis for IFN antagonism by human respiratory syncytial virus nonstructural protein 2. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2LMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lma by Molmil](/molmil-images/mine/2lma) | Solution structure of CD4+ T cell derived peptide Thp5 | Descriptor: | Thp5 peptide | Authors: | Pandey, N.K, Khan, M.M, Chatterjee, S, Dwivedi, V.P, Tousif, S, Das, J, Van Kaer, L. | Deposit date: | 2011-11-29 | Release date: | 2011-12-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | CD4+ T cell derived novel peptide Thp5 induces IL-4 production in CD4+ T cells to direct T helper 2 cell differentiation J.Biol.Chem., 2011
|
|
2L8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l8q by Molmil](/molmil-images/mine/2l8q) | Solution Structure of a control DNA Duplex | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*G)-3') | Authors: | Julien, O, Beadle, J.R, Magee, W.C, Chatterjee, S, Hostetler, K.Y, Evans, D.H, Sykes, B.D. | Deposit date: | 2011-01-22 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA duplex containing the potent anti-poxvirus agent cidofovir. J.Am.Chem.Soc., 133, 2011
|
|
2L8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l8p by Molmil](/molmil-images/mine/2l8p) | Solution Structure of a DNA Duplex Containing the Potent Anti-Poxvirus Agent Cidofovir | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*GP*(L8P)P*TP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*G)-3') | Authors: | Julien, O, Beadle, J.R, Magee, W.C, Chatterjee, S, Hostetler, K.Y, Evans, D.H, Sykes, B.D. | Deposit date: | 2011-01-22 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA duplex containing the potent anti-poxvirus agent cidofovir. J.Am.Chem.Soc., 133, 2011
|
|
2MD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md3 by Molmil](/molmil-images/mine/2md3) | |
2MD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md4 by Molmil](/molmil-images/mine/2md4) | |
2MD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md2 by Molmil](/molmil-images/mine/2md2) | |
2MD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md1 by Molmil](/molmil-images/mine/2md1) | |
4YEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yec by Molmil](/molmil-images/mine/4yec) | |
5B81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b81 by Molmil](/molmil-images/mine/5b81) | |