7C3C
| Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose | Descriptor: | AofleA, GLYCEROL, alpha-D-mannopyranose, ... | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-12 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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7C37
| Crystal structure of AofleA from Arthrobotrys oligospora | Descriptor: | AofleA, BICINE | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-11 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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5Z5K
| Structure of the DCC-Draxin 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, Draxin, ... | Authors: | Liu, Y, Xiao, J, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2018-06-20 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC. Neuron, 97, 2018
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2KMI
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2L7B
| NMR Structure of full length apoE3 | Descriptor: | Apolipoprotein E | Authors: | Chen, J, Wang, J. | Deposit date: | 2010-12-07 | Release date: | 2011-08-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Topology of human apolipoprotein E3 uniquely regulates its diverse biological functions. Proc.Natl.Acad.Sci.USA, 108, 2011
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2L2O
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2LBR
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2LBQ
| NMR structure of i6A37_tyrASL | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*AP*CP*UP*GP*UP*AP*(6IA)P*AP*UP*CP*CP*CP*C)-3') | Authors: | Denmon, A.P, Wang, J, Nikonowicz, E.P. | Deposit date: | 2011-04-05 | Release date: | 2011-08-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Conformation Effects of Base Modification on the Anticodon Stem-Loop of Bacillus subtilis tRNA(Tyr). J.Mol.Biol., 412, 2011
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2M00
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2MUV
| NOE-based model of the influenza A virus M2 (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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8DGG
| Structure of glycosylated LAG-3 homodimer | 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: | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | Deposit date: | 2022-06-23 | Release date: | 2022-08-17 | Last modified: | 2022-08-31 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Structural basis for LAG-3 dimeric association and inhibition of T cell function To Be Published
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2MUW
| NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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3K2L
| Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) | Descriptor: | CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, ... | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Soundararajan, M, Krojer, T, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition. Structure, 21, 2013
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7DSZ
| Crystal structure of Amuc_1102 from Akkermansia muciniphila | Descriptor: | Amuc_1102, CHLORIDE ION | Authors: | Xiang, R, Wang, J, Wang, Y, Zhang, M, Wang, M. | Deposit date: | 2021-01-04 | Release date: | 2021-02-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Amuc_1102 fromAkkermansia muciniphilaadopts animmunoglobulin-like fold related to archaeal type IV pilus Biochem.Biophys.Res.Commun., 547, 2021
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2PZY
| Structure of MK2 Complexed with Compound 76 | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | Deposit date: | 2007-05-18 | Release date: | 2007-07-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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2KQT
| Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein | Authors: | Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M. | Deposit date: | 2009-11-18 | Release date: | 2010-02-09 | Last modified: | 2024-05-08 | Method: | SOLID-STATE NMR | Cite: | Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers Nature, 463, 2010
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8TMT
| Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TN0
| Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | Descriptor: | SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-31 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TJM
| Crystal structure of KPC-44 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-23 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
| Crystal structure of KPC-44 carbapenemase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8UOB
| SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | Deposit date: | 2023-10-19 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUG
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUH
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUW
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUF
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | Descriptor: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | Authors: | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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