2RMM
| |
8E4A
| Pseudomonas LpxC in complex with LPC-233 | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2022-08-17 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens. Sci Transl Med, 15, 2023
|
|
6C8C
| Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | Descriptor: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2018-01-24 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
|
|
5DRP
| Structure of the AaLpxC/LPC-023 Complex | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
|
|
4G9J
| Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide | Authors: | Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J. | Deposit date: | 2012-07-24 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
5U86
| Structure of the Aquifex aeolicus LpxC/LPC-069 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | Deposit date: | 2016-12-13 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC. MBio, 8, 2017
|
|
1J0S
| Solution structure of the human interleukin-18 | Descriptor: | Interleukin-18 | Authors: | Kato, Z, Jee, J, Shikano, H, Mishima, M, Ohki, I, Yoneda, T, Hara, T, Torigoe, K, Kondo, N, Shirakawa, M. | Deposit date: | 2002-11-21 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The structure and binding mode of interleukin-18 Nat.Struct.Biol., 10, 2003
|
|
2RR3
| Solution structure of the complex between human VAP-A MSP domain and human OSBP FFAT motif | Descriptor: | Oxysterol-binding protein 1, Vesicle-associated membrane protein-associated protein A | Authors: | Furuita, K, Jee, J, Fukada, H, Mishima, M, Kojima, C. | Deposit date: | 2010-03-09 | Release date: | 2010-03-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Electrostatic interaction between oxysterol-binding protein and VAMP-associated protein A revealed by NMR and mutagenesis studies J.Biol.Chem., 285, 2010
|
|
2RR9
| The solution structure of the K63-Ub2:tUIMs complex | Descriptor: | Putative uncharacterized protein UIMC1, ubiquitin | Authors: | Sekiyama, N, Jee, J, Isogai, S, Akagi, K, Huang, T, Ariyoshi, M, Tochio, H, Shirakawa, M. | Deposit date: | 2010-06-16 | Release date: | 2011-07-06 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | The solution structure of the K63-Ub2:tUIMs complex To be Published
|
|
2RM8
| The solution structure of phototactic transducer protein HtrII linker region from Natronomonas pharaonis | Descriptor: | Sensory rhodopsin II transducer | Authors: | Hayashi, K, Sudo, Y, Jee, J, Mishima, M, Hara, H, Kamo, N, Kojima, C. | Deposit date: | 2007-10-15 | Release date: | 2007-12-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural Analysis of the Phototactic Transducer Protein HtrII Linker Region from Natronomonas pharaonis Biochemistry, 46, 2007
|
|
2RS4
| NMR structure of stereo-array isotope labelled (SAIL) peptidyl-prolyl cis-trans isomerase from E. coli (EPPIb) | Descriptor: | Peptidyl-prolyl cis-trans isomerase B | Authors: | Takeda, M, Jee, J, Ono, A.M, Okuma, K, Terauchi, T, Kainosho, M. | Deposit date: | 2011-07-16 | Release date: | 2011-10-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Hydrogen exchange study on the hydroxyl groups of serine and threonine residues in proteins and structure refinement using NOE restraints with polar side-chain groups J.Am.Chem.Soc., 133, 2011
|
|
6L9B
| X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11A | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Penmatsa, A, Chatterjee, J, Khatri, B, Majumder, P. | Deposit date: | 2019-11-08 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn. Chem Sci, 11, 2020
|
|
6L9D
| X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11S | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Penmatsa, A, Chatterjee, J, Majumder, P, Khatri, B. | Deposit date: | 2019-11-08 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn. Chem Sci, 11, 2020
|
|
6L91
| X-ray structure of synthetic GB1 domain with the mutation K10(DVA). | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein G | Authors: | Penmatsa, A, Chatterjee, J, Khatri, B, Majumder, P. | Deposit date: | 2019-11-07 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn. Chem Sci, 11, 2020
|
|
6LJI
| X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11V | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Penmatsa, A, Chatterjee, J, Majumder, P, Khatri, B. | Deposit date: | 2019-12-16 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.843 Å) | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn. Chem Sci, 11, 2020
|
|
5DRO
| Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
|
|
5DRR
| Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
|
|
5DRQ
| Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | Descriptor: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
|
|
7X7N
| 3D model of the 3-RBD up single trimeric spike protein of SARS-CoV2 in the presence of synthetic peptide SIH-5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, Synthetic peptide SIH-5 | Authors: | Khatri, B, Pramanick, I, Malladi, S.K, Rajmani, R.S, Kumar, S, Ghosh, P, Sengupta, N, Rahisuddin, R, Kumaran, S, Ringe, R.P, Varadarajan, R, Dutta, S, Chatterjee, J. | Deposit date: | 2022-03-10 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | A dimeric proteomimetic prevents SARS-CoV-2 infection by dimerizing the spike protein. Nat.Chem.Biol., 18, 2022
|
|
4ZGB
| Structure of untreated lipase from Thermomyces lanuginosa at 2.3 A resolution | Descriptor: | Lipase | Authors: | Kumar, M, Sinha, M, Mukherjee, J, Gupta, M.N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-04-22 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enhancement of stability of a lipase by subjecting to three phase partitioning (TPP): structures of native and TPP-treated lipase from Thermomyces lanuginosa Sustain Chem Process, 2015
|
|
4S0X
| Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ... | Authors: | Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-01-07 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution To be Published
|
|
4MQY
| Crystal Structure of the Escherichia coli LpxC/LPC-138 complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2013-09-17 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
|
|
4KJX
| Crystal Structure of the complex of three phase partition treated lipase from Thermomyces lanuginosa with Lauric acid and P-nitrobenzaldehyde (PNB) at 2.1 resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ... | Authors: | Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-04 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the complex of three phase partition treated lipase from Thermomyces lanuginosa with Lauric acid and P-nitrobenzaldehyde (PNB) at 2.1 resolution TO BE PUBLISHED
|
|
4N8S
| Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, GLYCEROL, ... | Authors: | Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-10-18 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution To be Published
|
|
4EA6
| Crystal structure of Fungal lipase from Thermomyces(Humicola) lanuginosa at 2.30 Angstrom resolution. | Descriptor: | Lipase | Authors: | Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-03-22 | Release date: | 2012-04-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Fungal lipase from Thermomyces(Humicola) lanuginosa at 2.30 Angstrom resolution. To be Published
|
|