5CF5
 
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | Descriptor: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Sack, J.S. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2015-09-02 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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6M17
 | | The 2019-nCoV RBD/ACE2-B0AT1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q. | | Deposit date: | 2020-02-24 | | Release date: | 2020-03-11 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
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5BTZ
 | | Structure of the middle domain of lpg1496 from Legionella pneumophila in P212121 space group | | Descriptor: | lpg1496 | | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2015-06-03 | | Release date: | 2015-08-26 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism.
J.Biol.Chem., 290, 2015
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5Y21
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5BU1
 | | Structure of the truncated C-terminal domain of lpg1496 from Legionella pneumophila | | Descriptor: | LPG1496, MALONATE ION | | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2015-06-03 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism.
J.Biol.Chem., 290, 2015
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6M18
 | | ACE2-B0AT1 complex | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | Deposit date: | 2020-02-25 | | Release date: | 2020-03-11 | | Last modified: | 2020-11-04 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
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5AEA
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5Y53
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5YMV
 | | Crystal structure of 9-mer peptide from influenza virus in complex with BF2*1201 | | Descriptor: | ALA-VAL-LYS-GLY-VAL-GLY-THR-MET-VAL, Beta-2-microglobulin, Class I histocompatibility antigen, ... | | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | | Deposit date: | 2017-10-22 | | Release date: | 2018-10-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
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5YMW
 | | Crystal structure of 8-mer peptide from Rous sarcoma virus in complex with BF2*1201 | | Descriptor: | Beta-2-microglobulin, Class I histocompatibility antigen, F10 alpha chain, ... | | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | | Deposit date: | 2017-10-22 | | Release date: | 2018-10-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
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6M1D
 | | ACE2-B0AT1 complex, open conformation | | Descriptor: | Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1 | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | Deposit date: | 2020-02-25 | | Release date: | 2020-03-11 | | Last modified: | 2020-04-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
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5CF4
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | Descriptor: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Sack, J.S. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5CF6
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | Descriptor: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Sack, J.S. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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8ZC6
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.85 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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7F46
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-06-17 | | Release date: | 2022-03-23 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (4.79 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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8XIF
 | | The crystal structure of the AEP domain of VACV D5 | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | | Authors: | Gan, J, Zhang, W. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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8XIG
 | | The crystal structure of the AEP domain of MPXV E5 | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | | Authors: | Gan, J, Zhang, W. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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5YH8
 | | The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Ji, Q, Song, L. | | Deposit date: | 2017-09-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YHE
 | | The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Song, L, Ji, Q. | | Deposit date: | 2017-09-28 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.465 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5ZOI
 | | Crystal Structure of alpha1,3-Fucosyltransferase | | Descriptor: | Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Tan, Y, Yang, G. | | Deposit date: | 2018-04-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
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6KLV
 | | Hyperthermophilic respiratory Complex III | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ANTIMYCIN, ... | | Authors: | Fei, S, Hartmut, M, Yun, Z, Guohong, P, Guoliang, Z, Hui, Z, Shuangbo, Z, Xiaoyun, P, Yan, Z. | | Deposit date: | 2019-07-30 | | Release date: | 2020-05-13 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A 3.3 angstrom -Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of Its Thermal Stability.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8H77
 | | Hsp90-AhR-p23-XAP2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | | Deposit date: | 2022-10-19 | | Release date: | 2023-01-04 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
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2Z78
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 | | Descriptor: | 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase | | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-08-16 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z4V
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GGPP (inhibitory site) | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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