3VZY
 
 | | Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
|
|
3WQK
 | | Crystal structure of Rv3378c with PO4 | | Descriptor: | Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
3W00
 | | Crystal structure of PcrB complexed with G1P and FsPP from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, PHOSPHATE ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
|
|
3WQM
 | | Crystal structure of Rv3378c with inhibitor BPH-629 | | Descriptor: | Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
3WQN
 | | Crystal structure of Rv3378c_Y51F with TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
3VNC
 | | Crystal Structure of TIP-alpha N25 from Helicobacter Pylori in its natural dimeric form | | Descriptor: | TIP-alpha | | Authors: | Gao, M, Li, D, Hu, Y, Zou, Q, Wang, D.-C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-10-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of TNF-alpha-Inducing Protein from Helicobacter Pylori in Active Form Reveals the Intrinsic Molecular Flexibility for Unique DNA-Binding
Plos One, 7, 2012
|
|
4G3H
 | | Crystal structure of helicobacter pylori arginase | | Descriptor: | Arginase (RocF), MANGANESE (II) ION | | Authors: | Zhang, J, Zhang, X, Li, D, Hu, Y, Zou, Q, Wang, D. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function studies on Helicobacter pylori arginase
To be Published
|
|
5YMR
 | | The Crystal Structure of IseG | | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | | Deposit date: | 2017-10-22 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
|
|
8FTL
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2023-01-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1
To Be Published
|
|
7MCI
 | | MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Lee, C, Hu, Y, Ribbe, M.W. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
|
|
6O0B
 | | Structural and Mechanistic Insights into CO2 Activation by Nitrogenase Iron Protein | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein | | Authors: | Rettberg, L.A, Stiebritz, M.T, Kang, W, Lee, C.C, Ribbe, M.W, Hu, Y. | | Deposit date: | 2019-02-15 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Mechanistic Insights into CO2Activation by Nitrogenase Iron Protein.
Chemistry, 25, 2019
|
|
3PDI
 | | Precursor bound NifEN | | Descriptor: | IRON/SULFUR CLUSTER, L-Cluster (Fe8S9), Nitrogenase MoFe cofactor biosynthesis protein NifE, ... | | Authors: | Kaiser, J.T, Hu, Y, Wiig, J.A, Rees, D.C, Ribbe, M.W. | | Deposit date: | 2010-10-22 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Precursor-Bound NifEN: A Nitrogenase FeMo Cofactor Maturase/Insertase.
Science, 331, 2011
|
|
6NZJ
 | | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein, SULFATE ION | | Authors: | Rettberg, L.A, Kang, W, Stiebritz, M.T, Hiller, C.J, Lee, C.C, Liedtke, J, Ribbe, M.W, Hu, Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
Mbio, 10, 2019
|
|
3QTF
 | | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity | | Descriptor: | (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I. | | Deposit date: | 2011-02-22 | | Release date: | 2011-04-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5703 Å) | | Cite: | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3R91
 | | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | | Deposit date: | 2011-03-24 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
7XWM
 | | structure of patulin-detoxifying enzyme Y155F/V187K with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWJ
 | | structure of patulin-detoxifying enzyme Y155F with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWI
 | | structure of patulin-detoxifying enzyme with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWN
 | | structure of patulin-detoxifying enzyme Y155F/V187K with NADPH and substrate | | Descriptor: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWH
 | | structure of patulin-detoxifying enzyme with NADP+ | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWK
 | | structure of patulin-detoxifying enzyme Y155F with NADPH and substrate | | Descriptor: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
7XWL
 | | structure of patulin-detoxifying enzyme Y155F/V187F with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
|
|
2M6S
 | | Holo_YqcA | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Jin, C, Hu, Y, Ye, Q. | | Deposit date: | 2013-04-09 | | Release date: | 2014-04-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli.
Biomol.Nmr Assign., 8, 2014
|
|
2M6R
 | | apo_YqcA | | Descriptor: | Flavodoxin | | Authors: | Jin, C, Hu, Y, Ye, Q. | | Deposit date: | 2013-04-09 | | Release date: | 2014-04-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli.
Biomol.Nmr Assign., 8, 2014
|
|
3VSG
 | | Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase | | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit | | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
|
|
