5MV2
| Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus | Descriptor: | E protein | Authors: | Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J. | Deposit date: | 2017-01-14 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism. Protein Cell, 10, 2019
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5MV1
| Crystal structure of the E protein of the Japanese encephalitis virulent virus | Descriptor: | E protein | Authors: | Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J. | Deposit date: | 2017-01-14 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism. Protein Cell, 10, 2019
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1A4I
| HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE / METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Allaire, M, Li, Y, Mackenzie, R.E, Cygler, M. | Deposit date: | 1998-01-30 | Release date: | 1999-02-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The 3-D structure of a folate-dependent dehydrogenase/cyclohydrolase bifunctional enzyme at 1.5 A resolution. Structure, 6, 1998
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1G9I
| CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | Authors: | Zhu, G, Huang, Q, Zhu, Y, Li, Y, Chi, C, Tang, Y. | Deposit date: | 2000-11-24 | Release date: | 2000-12-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane. Biochim.Biophys.Acta, 1546, 2001
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5K8I
| Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-30 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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5K8T
| Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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5L08
| Cryo-EM structure of Casp-8 tDED filament | Descriptor: | Caspase-8 | Authors: | Fu, T.M, Li, Y, Lu, A, Wu, H. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex. Mol.Cell, 64, 2016
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2AXJ
| Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | Descriptor: | SF4 T cell receptor beta chain | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | Deposit date: | 2005-09-05 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis. Protein Sci., 14, 2005
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2AXH
| Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | Descriptor: | T cell receptor beta chain | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | Deposit date: | 2005-09-05 | Release date: | 2005-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis. Protein Sci., 14, 2005
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7SSE
| Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63, 2023
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4EF4
| Crystal structure of STING CTD complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173 | Authors: | Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J. | Deposit date: | 2012-03-29 | Release date: | 2012-05-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding Immunity, 36, 2012
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4WVD
| Identification of a novel FXR ligand that regulates metabolism | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | Authors: | Wang, R, Li, Y. | Deposit date: | 2014-11-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
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1EPT
| REFINED 1.8 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF PORCINE EPSILON-TRYPSIN | Descriptor: | CALCIUM ION, PORCINE E-TRYPSIN | Authors: | Huang, Q, Wang, Z, Li, Y, Liu, S, Tang, Y. | Deposit date: | 1994-06-07 | Release date: | 1995-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Refined 1.8 A resolution crystal structure of the porcine epsilon-trypsin. Biochim.Biophys.Acta, 1209, 1994
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1EOJ
| Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures | Descriptor: | ALPHA THROMBIN, THROMBIN INHIBITOR P798 | Authors: | Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. | Deposit date: | 2000-03-23 | Release date: | 2000-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
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1EOL
| Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures | Descriptor: | ALPHA THROMBIN, THROMBIN INHIBITOR P628 | Authors: | Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. | Deposit date: | 2000-03-23 | Release date: | 2000-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
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1F2E
| STRUCTURE OF SPHINGOMONAD, GLUTATHIONE S-TRANSFERASE COMPLEXED WITH GLUTATHIONE | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Nishio, T, Watanabe, T, Patel, A, Wang, Y, Lau, P.C.K, Grochulski, P, Li, Y, Cygler, M. | Deposit date: | 2000-05-24 | Release date: | 2000-06-21 | Last modified: | 2011-12-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Properties of a Sphingomonad and Marine Bacterium Beta-Class Glutathione S-Transferases and Crystal Structure of the Former Complex with Glutathione To be published
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1CPH
| CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11 | Descriptor: | 1,2-DICHLOROETHANE, INSULIN (PH 10), SODIUM ION | Authors: | Gursky, O, Badger, J, Li, Y, Caspar, D.L.D. | Deposit date: | 1992-10-30 | Release date: | 1993-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in cubic insulin crystals in the pH range 7-11. Biophys.J., 63, 1992
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1DBO
| CRYSTAL STRUCTURE OF CHONDROITINASE B | Descriptor: | 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CHONDROITINASE B | Authors: | Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M. | Deposit date: | 1999-11-03 | Release date: | 2000-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution. J.Mol.Biol., 294, 1999
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1DPH
| CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11 | Descriptor: | 1,2-DICHLOROETHANE, INSULIN A CHAIN (PH 11), INSULIN B CHAIN (PH 11), ... | Authors: | Gursky, O, Badger, J, Li, Y, Caspar, D.L.D. | Deposit date: | 1992-10-30 | Release date: | 1993-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in cubic insulin crystals in the pH range 7-11. Biophys.J., 63, 1992
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1DBG
| CRYSTAL STRUCTURE OF CHONDROITINASE B | Descriptor: | 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, CHONDROITINASE B | Authors: | Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M. | Deposit date: | 1999-11-02 | Release date: | 2000-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution. J.Mol.Biol., 294, 1999
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1L4U
| CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | Deposit date: | 2002-03-05 | Release date: | 2002-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis. J.Mol.Biol., 319, 2002
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1L4Y
| CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | Deposit date: | 2002-03-06 | Release date: | 2002-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis. J.Mol.Biol., 319, 2002
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6QPW
| Structural basis of cohesin ring opening | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sister chromatid cohesion protein 1, ... | Authors: | Panne, D, Muir, K.W, Li, Y, Weis, F. | Deposit date: | 2019-02-15 | Release date: | 2020-02-05 | Last modified: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening. Nat.Struct.Mol.Biol., 27, 2020
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5JYY
| Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | Deposit date: | 2016-05-15 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses J.Med.Chem., 59, 2016
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8W6T
| NaS1 in IN/OUT state | Descriptor: | Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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