7UEX
| PANK3 complex structure with compound PZ-4127 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UER
| |
7UEQ
| PANK3 complex structure with compound PZ-4061 | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UEY
| PANK3 complex structure with compound PZ-4128 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UE6
| PANK3 complex structure with compound PZ-3802 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
8DIQ
| Tubulin-RB3_SLD-TTL in complex with SB226 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-06-29 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis. Cancer Lett., 555, 2022
|
|
7LZ8
| Tubulin-RB3_SLD-TTL in complex with compound 5t | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
|
|
7LZ7
| Tubulin-RB3_SLD-TTL in complex with compound 5k | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
|
|
7UEP
| PANK3 complex structure with compound PZ-3860 | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UE5
| PANK3 complex structure with compound PZ-3741 | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UE3
| PANK3 complex structure with compound PZ-3804 | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UE7
| PANK3 complex structure with compound PZ-3883 | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UE8
| PANK3 complex structure with compound PZ-3890 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
|
|
7UE4
| PANK3 complex structure with compound PZ-3855 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
7UEO
| PANK3 complex structure with compound PZ-3977 | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
|
|
6GOX
| SecA | Descriptor: | Protein translocase subunit SecA | Authors: | White, S.A, Huber, D. | Deposit date: | 2018-06-04 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The C-terminal tail of the bacterial translocation ATPase SecA modulates its activity. Elife, 8, 2019
|
|
5KQD
| PANK3:Palmitoyl-CoA complex | Descriptor: | Palmitoyl-CoA, Pantothenate kinase 3, SULFATE ION | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-06 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
1HUU
| |
5KPR
| PANK3-AMPPNP-Pantothenate complex | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PANTOTHENOIC ACID, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.827 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
5KPT
| PANK3-AMPPNP complex | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
5KQ8
| PANK3-AMPPN complex | Descriptor: | 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
5KPZ
| PANK3-ADP-PhosphoPantothenate complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
6PE6
| PANK3 complex structure with compound PZ-3022 | Descriptor: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2019-06-20 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia. Sci Transl Med, 13, 2021
|
|
6ATH
| Cdk2/cyclin A/p27-KID-deltaC | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2017-08-29 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation. Nat Commun, 10, 2019
|
|
3FIQ
| Odorant Binding Protein OBP1 | Descriptor: | 1,2-ETHANEDIOL, Odorant-binding protein 1F | Authors: | White, S.A. | Deposit date: | 2008-12-12 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structure of rat odorant-binding protein OBP1 at 1.6 A resolution Acta Crystallogr.,Sect.D, 65, 2009
|
|