3RSN
| Crystal Structure of the N-terminal region of Human Ash2L | Descriptor: | Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION | Authors: | Chen, Y, Wan, B, Wang, K.C, Cao, F, Yang, Y, Protacio, A, Dou, Y, Chang, H.Y, Lei, M. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the N-terminal region of human Ash2L shows a winged-helix motif involved in DNA binding. Embo Rep., 12, 2011
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7Y4G
| sit-bound btDPP4 | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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4OCJ
| N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM ION | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCU
| N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE ION | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCO
| N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCQ
| N-acetylhexosamine 1-phosphate kinase in complex with GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCK
| N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCP
| N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate and ADP | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCV
| N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc and AMPPNP | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.472 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4S39
| IspG in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3C
| IspG in complex with Epoxide Intermediate | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3E
| IspG in complex with Inhibitor 7 (compound 1061) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3B
| IspG in complex with Intermediate II | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3D
| IspG in complex with PPi | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3F
| IspG in complex with Inhibitor 8 (compound 1077) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3A
| IspG in complex with Intermediate I | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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7WL3
| CVB5 expended empty particle | Descriptor: | Capsid protein, Genome polyprotein | Authors: | Yang, P, Wang, K. | Deposit date: | 2022-01-12 | Release date: | 2022-03-30 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival. J.Virol., 96, 2022
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7XB2
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8HHU
| Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHT
| Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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7F7E
| SARS-CoV-2 S protein RBD in complex with A5-10 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ... | Authors: | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | Deposit date: | 2021-06-29 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants. Emerg Microbes Infect, 11, 2022
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8I30
| Crystal structure of the SARS-CoV-2 main protease in complex with 32j | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2023-01-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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7F7H
| SARS-CoV-2 S protein RBD in complex with A8-1 Fab | Descriptor: | Heavy chain of A8-1 Fab, Light chain of A8-1 Fab, Spike glycoprotein S1 | Authors: | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | Deposit date: | 2021-06-29 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | High throughput isolation of potent neutralizing antibodies from convalescent COVID-19 patients. To Be Published
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3EXS
| Crystal structure of KGPDC from Streptococcus mutans in complex with D-R5P | Descriptor: | RIBULOSE-5-PHOSPHATE, RmpD (Hexulose-6-phosphate synthase) | Authors: | Li, G.L, Liu, X, Wang, K.T, Li, L.F, Su, X.D. | Deposit date: | 2008-10-17 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans Biochem.Biophys.Res.Commun., 381, 2009
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