7U9V
 
 | | Integrin alaphIIBbeta3 complex with BMS4-1 | | Descriptor: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25492167 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UDG
 | | Integrin alaphIIBbeta3 complex with lotrafiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-19 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.800069 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.20002 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UDH
 | | Integrin alaphIIBbeta3 complex with BMS4-3 | | Descriptor: | (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-19 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99998844 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U9F
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.70000529 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UFH
 | | Integrin alaphIIBbeta3 complex with fradafiban (Mn/Ca) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-22 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.99768162 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UCY
 | | Integrin alaphIIBbeta3 complex with gantofiban | | Descriptor: | (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.34996319 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UE0
 | | Integrin alaphIIBbeta3 complex with fradafiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.741962 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UBR
 | | Integrin alaphIIBbeta3 complex with GR144053 | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-15 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04992747 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UK9
 | | Integrin alaphIIBbeta3 complex with lamifiban (Mn) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-31 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.60001969 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UH8
 | | Integrin alaphIIBbeta3 complex with roxifiban (Mn/Ca) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.750024 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKP
 | | Integrin alaphIIBbeta3 complex with a gantofiban analog | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.80112982 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UJE
 | | Integrin alaphIIBbeta3 complex with UR2922 in Mn2+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.499968 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UJK
 | | Integrin alaphIIBbeta3 complex with lamifiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.43265581 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKT
 | | Integrin alaphIIBbeta3 complex with BMS4.2 | | Descriptor: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.36994433 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKO
 | | Integrin alaphIIBbeta3 complex with sibrafiban (Mn) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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2OPM
 | | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | | Descriptor: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, ... | | Authors: | Cao, R, Gao, Y.G, Robinson, H, Goddard, A. | | Deposit date: | 2007-01-29 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3VJE
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus in complex with zaragozic acid A | | Descriptor: | Dehydrosqualene synthase, Zaragozic acid A | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VJD
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus | | Descriptor: | Dehydrosqualene synthase, L(+)-TARTARIC ACID | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3DYH
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | | Descriptor: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2008-07-27 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3DYF
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2008-07-27 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3DYG
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2008-07-27 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3EGT
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | Deposit date: | 2008-09-11 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3EFQ
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 | | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | Deposit date: | 2008-09-09 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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