4XIY
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![BU of 4xiy by Molmil](/molmil-images/mine/4xiy) | Crystal structure of ketol-acid reductoisomerase from Azotobacter | Descriptor: | DI(HYDROXYETHYL)ETHER, FE (III) ION, Ketol-acid reductoisomerase, ... | Authors: | Spatzal, T, Cahn, J.K.B, Wiig, J.A, Einsle, O, Hu, Y, Ribbe, M.W, Arnold, F.H. | Deposit date: | 2015-01-07 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015
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2MN7
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2MI2
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2LZ5
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![BU of 2lz5 by Molmil](/molmil-images/mine/2lz5) | Solution structure of a Novel Alpha-Conotoxin TxIB | Descriptor: | Conotoxin_TxIB | Authors: | Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J. | Deposit date: | 2012-09-23 | Release date: | 2012-12-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors. J.Biol.Chem., 288, 2013
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2M3I
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![BU of 2m3i by Molmil](/molmil-images/mine/2m3i) | Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors | Descriptor: | Alpha-conotoxin | Authors: | Luo, S, Zhangsun, D, Zhu, X, Wu, Y, Hu, Y, Christensen, S, Akcan, M, Craik, D.J, McIntosh, J.M. | Deposit date: | 2013-01-20 | Release date: | 2013-12-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Characterization of a Novel alpha-Conotoxin TxID from Conus textile That Potently Blocks Rat alpha 3 beta 4 Nicotinic Acetylcholine Receptors. J.Med.Chem., 56, 2013
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7MCI
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![BU of 7mci by Molmil](/molmil-images/mine/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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2MN6
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3VNJ
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![BU of 3vnj by Molmil](/molmil-images/mine/3vnj) | Crystal structures of D-Psicose 3-epimerase with D-psicose from Clostridium cellulolyticum H10 | Descriptor: | D-psicose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | Deposit date: | 2012-01-16 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3VNM
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![BU of 3vnm by Molmil](/molmil-images/mine/3vnm) | Crystal structures of D-Psicose 3-epimerase with D-sorbose from Clostridium cellulolyticum H10 | Descriptor: | D-sorbose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | Deposit date: | 2012-01-17 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3VNK
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![BU of 3vnk by Molmil](/molmil-images/mine/3vnk) | Crystal structures of D-Psicose 3-epimerase with D-fructose from Clostridium cellulolyticum H10 | Descriptor: | D-fructose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | Deposit date: | 2012-01-16 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3VNL
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![BU of 3vnl by Molmil](/molmil-images/mine/3vnl) | Crystal structures of D-Psicose 3-epimerase with D-tagatose from Clostridium cellulolyticum H10 | Descriptor: | D-tagatose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | Deposit date: | 2012-01-16 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3VNI
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![BU of 3vni by Molmil](/molmil-images/mine/3vni) | Crystal structures of D-Psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars | Descriptor: | MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | Deposit date: | 2012-01-16 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3PDI
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![BU of 3pdi by Molmil](/molmil-images/mine/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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3W01
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![BU of 3w01 by Molmil](/molmil-images/mine/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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3QTF
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![BU of 3qtf by Molmil](/molmil-images/mine/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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3VZZ
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![BU of 3vzz by Molmil](/molmil-images/mine/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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3AH5
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![BU of 3ah5 by Molmil](/molmil-images/mine/3ah5) | Crystal Structure of flavin dependent thymidylate synthase ThyX from helicobacter pylori complexed with FAD and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Zhang, X, Zhang, J, Hu, Y, Zou, Q, Wang, D. | Deposit date: | 2010-04-14 | Release date: | 2011-04-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and functional analysis of a flavin dependent thymidylate synthase from helicobacter pylori To be Published
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3VZX
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![BU of 3vzx by Molmil](/molmil-images/mine/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
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![BU of 3vzy by Molmil](/molmil-images/mine/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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3W02
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![BU of 3w02 by Molmil](/molmil-images/mine/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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3WQK
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![BU of 3wqk by Molmil](/molmil-images/mine/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
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![BU of 3wqm by Molmil](/molmil-images/mine/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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3W00
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![BU of 3w00 by Molmil](/molmil-images/mine/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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3R91
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![BU of 3r91 by Molmil](/molmil-images/mine/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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3WQN
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![BU of 3wqn by Molmil](/molmil-images/mine/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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