6NNG
 
 | | Tubulin-RB3_SLD-TTL in complex with compound DJ95 | | Descriptor: | 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
|
|
5CGV
 | | 2009 H1N1 PA endonuclease in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-09 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5CL0
 | | 2009 H1N1 PA endonuclease in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-15 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5D42
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5DEB
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5D2O
 | | 2009 H1N1 PA endonuclease mutant F105S | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6O5M
 | | Tubulin-RB3_SLD-TTL in complex with compound 10bb | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
|
|
6O5N
 | | Tubulin-RB3_SLD-TTL in complex with compound 10ab | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
|
|
6O61
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
|
|
6PC4
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
|
|
6D88
 | | Tubulin-RB3_SLD-TTL in complex with compound 13f | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2018-04-26 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities.
J. Med. Chem., 61, 2018
|
|
5IOH
 | | RepoMan-PP1a (protein phosphatase 1, alpha isoform) holoenzyme complex | | Descriptor: | Cell division cycle-associated protein 2, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | | Authors: | Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2016-03-08 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.566 Å) | | Cite: | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
|
|
5J28
 | | Ki67-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex | | Descriptor: | Antigen KI-67, MALONATE ION, SODIUM ION, ... | | Authors: | Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
|
|
5INB
 | | RepoMan-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex | | Descriptor: | Cell division cycle-associated protein 2, GLYCEROL, MALONATE ION, ... | | Authors: | Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2016-03-07 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
|
|
3IH0
 | | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with AMP-PNP | | Descriptor: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized sugar kinase PH1459 | | Authors: | Kumar, G, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-07-29 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with AMP-PNP
To be Published
|
|
7K0W
 | |
5D9J
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5EGA
 | | 2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor | | Descriptor: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-10-26 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes.
Sci Rep, 6, 2016
|
|
5DBS
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-21 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5CZN
 | | 2009 H1N1 PA endonuclease mutant E119D | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-31 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5DES
 | | 2009 H1N1 PA endonuclease domain | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5D8U
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5D4G
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5CCY
 | | 2009 H1N1 PA endonuclease in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-02 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
|
|
