8Y93
 
 | | Structure of NET-Amitriptyline in outward-open state | | Descriptor: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8YL9
 | | Crystal structures of terpene synthases complexed with a substrate mimic | | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ... | | Authors: | Xu, M, Ma, M. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8Y95
 | | Structure of NET-NE in Occluded state | | Descriptor: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | | Authors: | Zhang, H, Xu, H.E, Jiang, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8XOI
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of fulvestrant | | Descriptor: | G-protein coupled estrogen receptor 1, 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: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8Y8Z
 | | Structure of NET-Maprotiline in outward-open state | | Descriptor: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y94
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6XJJ
 | | Structure of non-heme iron enzyme TropC: Radical tropolone biosynthesis | | Descriptor: | 2-oxoglutarate-dependent dioxygenase tropC, ACETATE ION, FE (III) ION, ... | | Authors: | Mallik, L, Doyon, T.J, Narayan, A.R.H, Koutmos, M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Radical Tropolone Biosynthesis
Chemrxiv, 2020
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7BUT
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7XUX
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1LS4
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5H9Y
 | | Crystal structure of GH family 64 laminaripentaose-producing beta-1,3-glucanase from Paenibacillus barengoltzii complexed with laminarihexaose. | | Descriptor: | L(+)-TARTARIC ACID, beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | Authors: | Zhen, Q, Yan, Q, Yang, S, Jiang, Z, You, X. | | Deposit date: | 2015-12-29 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Chem. Commun. (Camb.), 53, 2017
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5H9X
 | | Crystal structure of GH family 64 laminaripentaose-producing beta-1,3-glucanase from Paenibacillus barengoltzii | | Descriptor: | beta-1,3-glucanase | | Authors: | Zhen, Q, Yan, Q, Yang, S, Jiang, Z, You, X. | | Deposit date: | 2015-12-29 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Chem. Commun. (Camb.), 53, 2017
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2GYT
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8H6Q
 | | Class I sesquiterpene synthase BCBOT2 (apo) | | Descriptor: | Presilphiperfolan-8-beta-ol synthase | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H6U
 | | Class I sesquiterpene synthase BCBOT2 (complex) | | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE 2-, ... | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H4P
 | | class I sesquiterpene synthase | | Descriptor: | Longiborneol synthase CLM1, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Li, A.N, Lou, T.T, Ma, M. | | Deposit date: | 2022-10-11 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H72
 | | Class I sesquiterpene synthase DbPROS (complex) | | Descriptor: | Delta(6)-protoilludene synthase K435DRAFT_659367, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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7Q6U
 | | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | | Descriptor: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7Q6T
 | | Crystal structure of the bromodomain of ATAD2 with AZ13824374 | | Descriptor: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7Q6W
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | | Descriptor: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7Q6V
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | | Descriptor: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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5ID6
 | | Structure of Cpf1/RNA Complex | | Descriptor: | Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3') | | Authors: | Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z. | | Deposit date: | 2016-02-24 | | Release date: | 2016-04-27 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
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6M19
 | | Template lasso peptide C24 mutant W14F | | Descriptor: | lasso peptide | | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | Deposit date: | 2020-02-25 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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7CRN
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6LMS
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