3ROY
| CDK2 in complex with inhibitor KVR-1-154 | Descriptor: | 1,2-ETHANEDIOL, 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-26 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3R7E
| CDK2 in complex with inhibitor KVR-1-67 | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-22 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3R8M
| CDK2 in complex with inhibitor L3-3 | Descriptor: | 1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-24 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3RKB
| CDK2 in complex with inhibitor RC-2-73 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S0O
| CDK2 in complex with inhibitor RC-1-138 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-13 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S1H
| CDK2 in complex with inhibitor RC-2-39 | Descriptor: | 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3RZB
| CDK2 in complex with inhibitor RC-2-23 | Descriptor: | 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-11 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S00
| CDK2 in complex with inhibitor L4-14 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-12 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3SQQ
| CDK2 in complex with inhibitor RC-3-96 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-07-06 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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6I4K
| Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Ca-ATP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4L
| Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4J
| Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4F
| Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4D
| Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4H
| Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Ca-ATP state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CALCIUM ION, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4G
| Crystal Structure of Plasmodium falciparum actin I (H74Q) in the Mg-K-ATP state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, BETA-MERCAPTOETHANOL, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4M
| Crystal Structure of Plasmodium berghei actin II in the Mg-ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-2, CALCIUM ION, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4I
| Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4E
| Crystal Structure of Plasmodium falciparum actin I in the Mg-ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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7VFI
| Cryo-EM structure of the mouse TAPL (9mer-peptide bound) | Descriptor: | ABC-type oligopeptide transporter ABCB9, ARG-ARG-TYR-GLN-LYS-SER-THR-GLU-LEU, CHOLESTEROL HEMISUCCINATE | Authors: | Park, J.G, Kim, S, Jang, E, Choi, S.H, Han, H, Kim, J.W, Ju, S, Min, D.S, Jin, M.S. | Deposit date: | 2021-09-13 | Release date: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | The lysosomal transporter TAPL has a dual role as peptide translocator and phosphatidylserine floppase. Nat Commun, 13, 2022
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3KQJ
| MurA binary complex with UDP-N-acetylglucosamine | Descriptor: | GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo. To be Published
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3KQA
| MurA dead-end complex with terreic acid | Descriptor: | (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione, CALCIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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3KR6
| MurA dead-end complex with fosfomycin | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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3LTH
| E. cloacae MurA dead-end complex with UNAG and fosfomycin | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Schonbrunn, E. | Deposit date: | 2010-02-15 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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6Y09
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