4Z7O
| Integrin alphaIIbbeta3 in complex with AGDV peptide | 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, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2016-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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5HDB
| Integrin alphaIIbbeta3 in complex with Ro-435054 | 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. | Deposit date: | 2016-01-05 | Release date: | 2016-02-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7012 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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7U60
| Integrin alaphIIBbeta3 complex with cRGDfV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-03 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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4Z7Q
| Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide | 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, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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4Z7N
| Integrin alphaIIbbeta3 in complex with AGDV peptide | 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, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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3LGZ
| Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-21 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ADZ
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-31 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3AE0
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-31 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NPR
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-28 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NRI
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | Descriptor: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-30 | Release date: | 2010-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACW
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651 | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-13 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACX
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673 | Descriptor: | Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-13 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACY
| Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702 | Descriptor: | (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-13 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase Proc.Natl.Acad.Sci.USA, 107, 2010
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3TFP
| Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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3TFV
| Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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3TFN
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7L8P
| Integrin alphaIIbbeta3 in complex with sibrafiban | 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, Springer, T.A. | Deposit date: | 2020-12-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34995365 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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4EA1
| Co-crystal structure of dehydrosqualene synthase (Crtm) from S. aureus with SQ-109 | Descriptor: | Dehydrosqualene synthase, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine | Authors: | Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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4EA2
| Crystal structure of dehydrosqualene synthase (Crtm) aureus complexed with SQ-109 | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, ... | Authors: | Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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4E9U
| Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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4E9Z
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4EA0
| Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651 | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ... | Authors: | Lin, F.-Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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7TCT
| Integrin alaphIIBbeta3 complex with UR2922 | 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: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2021-12-28 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TD8
| Integrin alaphIIBbeta3 complex with Tirofiban | 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: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2021-12-30 | 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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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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