5ZOV
 
 | | Inward-facing conformation of L-ascorbate transporter UlaA | | Descriptor: | ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC | | Authors: | Wang, J.W. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.333 Å) | | Cite: | Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
|
|
5DI1
 | | MAP4K4 in complex with an inhibitor | | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Liu, S. | | Deposit date: | 2015-08-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
|
|
6NCO
 | | Fragment-based Discovery of an apoE4 Stabilizer | | Descriptor: | 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2018-12-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
|
|
4M9S
 | | crystal structure of CED-4 bound CED-3 fragment | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.207 Å) | | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
|
|
6NYP
 | | Crystal structure of UL144/BTLA complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B- and T-lymphocyte attenuator, GLYCEROL, ... | | Authors: | Aruna, B, Zajonc, D.M, Doukov, T. | | Deposit date: | 2019-02-11 | | Release date: | 2019-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of human cytomegalovirus UL144, an HVEM orthologue, bound to the B and T cell lymphocyte attenuator.
J.Biol.Chem., 294, 2019
|
|
4Q1E
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ... | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4M9X
 | | Crystal structure of CED-4 bound CED-3 fragment | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.344 Å) | | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
|
|
4Q1A
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol} | | Descriptor: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
8T5K
 | | Crystal structure of STING CTD in complex with BDW-OH | | Descriptor: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | | Authors: | Li, Y, Li, P, Sun, D. | | Deposit date: | 2023-06-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
|
|
4M9Y
 | | Crystal structure of CED-4 bound CED-3 fragment | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
|
|
1CE0
 | |
4Q1C
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol} | | Descriptor: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4Q1F
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide} | | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4Q1D
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4Q19
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL} | | Descriptor: | 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4Q1B
 | |
4Q18
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol] | | Descriptor: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
|
|
4LGI
 | | N-terminal truncated NleC structure | | Descriptor: | Uncharacterized protein | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
|
|
6OTS
 | | Rat ERK2 E320K | | Descriptor: | Mitogen-activated protein kinase 1 | | Authors: | Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H. | | Deposit date: | 2019-05-03 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6L35
 | | PSI-LHCI Supercomplex from Physcometrella patens | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, L, Yan, Q.J, Qin, X.C. | | Deposit date: | 2019-10-09 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens.
Cell Discov, 7, 2021
|
|
4M9Z
 | | Crystal structure of CED-4 bound CED-3 fragment | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.405 Å) | | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
|
|
7EO0
 | | FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY C4 | | Descriptor: | Ig heavy chain variable region, Ig lamda chain variable region, O/TIBET/99 VP1, ... | | Authors: | He, Y, Li, K. | | Deposit date: | 2021-04-21 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Two Cross-Protective Antigen Sites on Foot-and-Mouth Disease Virus Serotype O Structurally Revealed by Broadly Neutralizing Antibodies from Cattle.
J.Virol., 95, 2021
|
|
4LGJ
 | | Crystal structure and mechanism of a type III secretion protease | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
|
|
6OEV
 | | Structure of human Patched1 in complex with native Sonic Hedgehog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1, ... | | Authors: | Qi, X, Li, X. | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-17 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
|
|
6OT6
 | | Rat ERK2 D319N | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Taylor, C.A, Goldsmith, E.J, Cobb, M.H. | | Deposit date: | 2019-05-02 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
