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
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6VXT
 | | Activated Nitrogenase MoFe-protein from Azotobacter vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Hu, Y, Ribbe, M.W. | | Deposit date: | 2020-02-24 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Science, 368, 2020
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6WOV
 | | Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 wild type in complex with FKBP12.6 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | Authors: | Iyer, K.A, Hu, Y, Nayak, A.R, Kurebayashi, N, Murayama, T, Samso, M. | | Deposit date: | 2020-04-25 | | Release date: | 2020-08-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
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6WOU
 | | Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 mutant R176Q in complex with FKBP12.6 in nanodisc | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | Authors: | Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M. | | Deposit date: | 2020-04-25 | | Release date: | 2020-08-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
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6WOT
 | | Cryo-EM structure of recombinant rabbit Ryanodine Receptor type 1 mutant R164C in complex with FKBP12.6 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | | Authors: | Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M. | | Deposit date: | 2020-04-25 | | Release date: | 2020-08-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
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7JMA
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7JMB
 | | Crystal structure of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus with three Fe4S4 clusters | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron-molybdenum cofactor biosynthesis protein NifB | | Authors: | Kang, W, Rettberg, L, Ribbe, M.W, Hu, Y. | | Deposit date: | 2020-07-31 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3MOJ
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3W02
 | | Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, SULFATE 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 (2.98 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3W01
 | | Crystal structure of PcrB complexed with PEG from Staphylococcus aureus subsp. aureus Mu3 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL | | 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 (1.54 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3VZZ
 | | Crystal structure of PcrB complexed with FsPP 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 (2.04 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3VZX
 | | Crystal structure of PcrB 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 (1.54 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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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
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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
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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
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3WQL
 | | Crystal structure of Rv3378c with Mg2+ and PPi | | Descriptor: | Diterpene synthase, MAGNESIUM 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: | 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
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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
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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
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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
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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 | | 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
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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
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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
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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
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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
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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
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