2B1I
 
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
|
|
7CRD
 | | Structure of Pseudomonas aeruginosa OdaA | | Descriptor: | Probable enoyl-CoA hydratase/isomerase | | Authors: | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | | Deposit date: | 2020-08-13 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
|
|
2YJY
 | | A specific and modular binding code for cytosine recognition in PUF domains | | Descriptor: | 5'-R(*AP*UP*UP*GP*CP*AP*UP*AP*UP*AP)-3', PUMILIO HOMOLOG 1 | | Authors: | Dong, S, Wang, Y, Cassidy-Amstutz, C, Lu, G, Qiu, C, Bigler, R, Jezyk, M, Li, C, Hall, T.M.T, Wang, Z. | | Deposit date: | 2011-05-24 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Specific and Modular Binding Code for Cytosine Recognition in Pumilio/Fbf (Puf) RNA-Binding Domains.
J.Biol.Chem., 286, 2011
|
|
2B1G
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ... | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
|
|
6PRZ
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS1
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS0
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS3
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS6
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS4
 | | XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS8
 | | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | | Descriptor: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS5
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS7
 | | XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6PS2
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
5WYB
 | | Structure of Pseudomonas aeruginosa DspI | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase | | Authors: | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
|
|
3RZH
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3RZG
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3RZM
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3RZK
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(EDA)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3RZJ
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3RZL
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
4J4S
 | | Triple mutant SFTAVN | | Descriptor: | Nucleocapsid protein, SODIUM ION | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.442 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
|
|
4J4V
 | | Pentameric SFTSVN with suramin | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Nucleocapsid protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
|
|
4J4X
 | | Crystal structure of GraVN | | Descriptor: | NP protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
|
|
4J4W
 | | Crystal structure of BueVN | | Descriptor: | Nucleocapsid | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.661 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
|
|
