6JKP
 
 | | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense in complex with NAD+ | | Descriptor: | Methanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.008 Å) | | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
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6JKO
 | | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense | | Descriptor: | Methanol dehydrogenase, ZINC ION | | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
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6JV0
 | | Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JUY
 | | Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JV1
 | | Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | ARGININE, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | Deposit date: | 2023-07-10 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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7SGV
 | | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor | | Descriptor: | CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Papain-like protease, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-10-07 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
To Be Published
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7SGU
 | | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor | | Descriptor: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-10-07 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor
To Be Published
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7SGW
 | | Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor | | Descriptor: | CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Non-structural protein 3, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-10-07 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor
To Be Published
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3TN6
 | | Crystal structure of GkaP mutant R230H from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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3TNB
 | | Crystal structure of GkaP mutant G209D/R230H from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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6K81
 | | Crystal structure of human VASH1-SVBP complex | | Descriptor: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | | Authors: | Liu, X, Wang, H, Zhang, Y, Feng, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural insights into tubulin detyrosination by vasohibins-SVBP complex.
Cell Discov, 5, 2019
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6NPW
 | | SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide | | Descriptor: | PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ... | | Authors: | Irani, S, Zhang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription.
J.Biol.Chem., 294, 2019
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | Authors: | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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8K6L
 | | Cryo-EM structure of human OATP1B1 in complex with DCF | | Descriptor: | 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shan, Z, Yang, X, Zhang, Y. | | Deposit date: | 2023-07-25 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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6OSA
 | | human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in non-canonical conformation (NC state) | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G. | | Deposit date: | 2019-05-01 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
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7VAB
 | | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-28 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7VBI
 | | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex | | Descriptor: | Glucagon-like peptide 1 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: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-31 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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8HDZ
 | | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in an apo form | | Descriptor: | A22 DNA replication processivity factor, E4 uracil-DNA glycosylase, F8 DNA polymerase | | Authors: | Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C. | | Deposit date: | 2022-11-07 | | Release date: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Cryo-EM structures of human monkeypox viral replication complexes with and without DNA duplex.
Cell Res., 33, 2023
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6OS9
 | | human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state) | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G. | | Deposit date: | 2019-05-01 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
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7VBH
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex | | Descriptor: | Glucagon-like peptide 1 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: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-31 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7V35
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | | Descriptor: | Glucagon 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: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-10 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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3TN5
 | | Crystal structure of GkaP mutant Y99L from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, PHOSPHATE ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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3TN4
 | | Crystal structure of GkaP mutant G209D from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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3TN3
 | | Crystal structure of GkaP from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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