8I8F
 
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Shi, X, Liu, W. | | Deposit date: | 2023-02-04 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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9AUK
 | | Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUO
 | | Structure of SARS-CoV-2 Mpro mutant (L50F,T304I) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUN
 | | Structure of SARS-CoV-2 Mpro mutant (T21I,T304I) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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8GS1
 | | Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485 | | Descriptor: | Azi28, Azi29, FORMIC ACID, ... | | Authors: | Cheng, Y, Li, P, Liu, W, Fang, P. | | Deposit date: | 2022-09-04 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
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7FIR
 | | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with 1,4-mannobiose | | Descriptor: | Beta-1,2-mannobiose phosphorylase, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIQ
 | | The crystal structure of mannose-bound beta-1,2-mannobiose phosphorylase from Thermoanaerobacter sp. | | Descriptor: | Beta-1,2-mannobiose phosphorylase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIP
 | | The native structure of beta-1,2-mannobiose phosphorylase from Thermoanaerobacter sp. | | Descriptor: | Beta-1,2-mannobiose phosphorylase, ZINC ION | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIS
 | | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with mannose 1-phosphate (M1P) | | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, Beta-1,2-mannobiose phosphorylase, GLYCEROL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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8HK0
 | | Crystal structure of Fic32-33 complex from Streptomyces ficellus NRRL 8067 | | Descriptor: | Acyl-CoA dehydrogenase, Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cheng, Y, Qiao, H, Liu, W, Fang, P. | | Deposit date: | 2022-11-24 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
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8HK5
 | | C5aR1-Gi-C5a protein complex | | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK3
 | | C3aR-Gi-apo protein complex | | Descriptor: | C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK2
 | | C3aR-Gi-C3a protein complex | | Descriptor: | C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8IL0
 | | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 | | Descriptor: | Glycosyltransferase | | Authors: | Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P. | | Deposit date: | 2023-03-01 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
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8ILA
 | | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates | | Descriptor: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase | | Authors: | Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W. | | Deposit date: | 2023-03-03 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
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7JJO
 | | Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor | | Descriptor: | Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-02 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor.
Mol.Cell, 80, 2020
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6ME2
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6ME4
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6ME3
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6M9T
 | | Crystal structure of EP3 receptor bound to misoprostol-FA | | Descriptor: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ... | | Authors: | Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C. | | Deposit date: | 2018-08-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
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6ME5
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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7XP7
 | | Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation | | Descriptor: | Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Ma, X.Y, Tang, Z.J, Liu, W, Ma, M. | | Deposit date: | 2022-05-03 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation.
Acs Chem.Biol., 18, 2023
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5XK7
 | | Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | Deposit date: | 2017-05-05 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7X3O
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
To Be Published
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5XJX
 | | Pre-formed plant receptor ERL1-TMM complex | | Descriptor: | LRR receptor-like serine/threonine-protein kinase ERL1, Protein TOO MANY MOUTHS | | Authors: | Chai, J, Lin, G, Zhang, L, Han, Z, Yang, X, Liu, W, Qi, Y, Chang, J, Li, E. | | Deposit date: | 2017-05-04 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.055 Å) | | Cite: | A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
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