3PHL
| The apo-form UDP-glucose 6-dehydrogenase | Descriptor: | UDP-glucose 6-dehydrogenase | Authors: | Chen, Y.Y, Ko, T.P, Lin, C.H, Chen, W.H, Wang, A.H.J. | Deposit date: | 2010-11-04 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3PLR
| Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with NADH and UDP-glucose | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-MONOPHOSPHATE | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-15 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3WH0
| Structure of Pin1 Complex with 18-crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-08-20 | Release date: | 2014-10-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
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3WHM
| Structure of Hemoglobin Complex with 18-crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Lee, C.C, Lin, L.L, Wang, A.H.J. | Deposit date: | 2013-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
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2ZX5
| alpha-L-fucosidase complexed with inhibitor, F10 | Descriptor: | 3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2ZWZ
| alpha-L-fucosidase complexed with inhibitor, Core1 | Descriptor: | (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2ZXD
| alpha-L-fucosidase complexed with inhibitor, iso-6FNJ | Descriptor: | (2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-22 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2ZX7
| alpha-L-fucosidase complexed with inhibitor, F10-2C | Descriptor: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2ZX8
| alpha-L-fucosidase complexed with inhibitor, F10-2C-O | Descriptor: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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336D
| INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | Authors: | Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I. | Deposit date: | 1997-06-24 | Release date: | 1998-04-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex. FEBS Lett., 398, 1996
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2ZX9
| alpha-L-fucosidase complexed with inhibitor, B4 | Descriptor: | (2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-22 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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381D
| BINDING OF THE MODIFIED DAUNORUBICIN WP401 ADJACENT TO A T-G BASE PAIR INDUCES THE REVERSE WATSON-CRICK CONFORMATION: CRYSTAL STRUCTURES OF THE WP401-TGGCCG AND WP401-CGG[BR5C]CG COMPLEXES | Descriptor: | 2'-BROMO-4'-EPIDAUNORUBICIN, DNA (5'-D(*TP*GP*(G49)P*CP*CP*G)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*G)-3') | Authors: | Dutta, R, Gao, Y.-G, Priebe, W, Wang, A.H.-J. | Deposit date: | 1998-02-18 | Release date: | 1998-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the modified daunorubicin WP401 adjacent to a T-G base pair induces the reverse Watson-Crick conformation: crystal structures of the WP401-TGGCCG and WP401-CGG[br5C]CG complexes. Nucleic Acids Res., 26, 1998
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2ZX6
| alpha-L-fucosidase complexed with inhibitor, F10-1C | Descriptor: | 2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2ZXB
| alpha-L-fucosidase complexed with inhibitor, ph-6FNJ | Descriptor: | (2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol, Alpha-L-fucosidase, putative | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-22 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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380D
| BINDING OF THE MODIFIED DAUNORUBICIN WP401 ADJACENT TO A T-G BASE PAIR INDUCES THE REVERSE WATSON-CRICK CONFORMATION: CRYSTAL STRUCTURES OF THE WP401-TGGCCG AND WP401-CGG[BR5C]CG COMPLEXES | Descriptor: | 2'-BROMO-4'-EPIDAUNORUBICIN, DNA (5'-D(*CP*GP*(G49)P*(CBR)P*CP*G)-3') | Authors: | Dutta, R, Gao, Y.-G, Priebe, W, Wang, A.H.-J. | Deposit date: | 1998-02-18 | Release date: | 1998-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of the modified daunorubicin WP401 adjacent to a T-G base pair induces the reverse Watson-Crick conformation: crystal structures of the WP401-TGGCCG and WP401-CGG[br5C]CG complexes. Nucleic Acids Res., 26, 1998
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2ZXA
| alpha-L-fucosidase complexed with inhibitor, FNJ-acetyl | Descriptor: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-22 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2Z7H
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-210 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID) | Authors: | Cao, R, Chen, C.K.-M, Guo, R.-T, Hudock, M, Wang, A.H.-J, Oldfield, E. | Deposit date: | 2007-08-23 | Release date: | 2008-05-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases. Proteins, 73, 2008
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2ZY1
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-830 | Descriptor: | Dehydrosqualene synthase, dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2009-01-10 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. J.Med.Chem., 52, 2009
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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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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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3W7F
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus aureus complexed with farnesyl thiopyrophosphate | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence. Science, 319, 2008
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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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7CHY
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7CHZ
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