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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8J19
 | | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | | Descriptor: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J18
 | | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J1A
 | | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | | Descriptor: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8JI5
 | | Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ | | Descriptor: | 5-bromo-L-tryptophan, AetD, FE (II) ION, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8JI4
 | | Crystal structure of AetD in complex with 5-bromo-L-tryptophan | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8JI3
 | | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+ | | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8JI6
 | | Crystal structure of AetD in complex with L-tryptophan | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8JI2
 | | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan | | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8JI7
 | | Crystal structure of AetD in complex with L-tryptophan and two Fe2+ | | Descriptor: | AetD, FE (II) ION, NICKEL (II) ION, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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7WX2
 | | CBP-BrD complexed with NEO2734 | | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | | Authors: | Zeng, L, Lei, J.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
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7WWZ
 | | BRD4-BD1 complexed with NEO2734 | | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | | Authors: | Zeng, L, Lei, J.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
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7ULA
 | | Structure of the Pseudomonas putida AlgKX modification and secretion complex | | Descriptor: | Alginate biosynthesis protein AlgK, Alginate biosynthesis protein AlgX, CHLORIDE ION, ... | | Authors: | Gheorghita, A.A, Li, E.Y, Pfoh, R, Howell, P.L. | | Deposit date: | 2022-04-04 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure of the AlgKX modification and secretion complex required for alginate production and biofilm attachment in Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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7CR2
 | | human KCNQ2 in complex with retigabine | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7C9O
 | | Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2) | | Descriptor: | DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ... | | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
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7CR7
 | | human KCNQ2-CaM in complex with retigabine | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR0
 | | human KCNQ2 in apo state | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR3
 | | human KCNQ2-CaM in apo state | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7C9P
 | | Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2 | | Descriptor: | Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2 | | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
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7CR4
 | | human KCNQ2-CaM in complex with ztz240 | | Descriptor: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7DCJ
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7DCT
 | | Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp) | | Descriptor: | DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ... | | Authors: | Feng, N, Liu, W. | | Deposit date: | 2020-10-27 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
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7DCU
 | | Crystal structure of HSF2 DNA-binding domain in complex with 3-site HSE DNA (21 bp) | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*G)-3'), Heat shock factor protein 2, ... | | Authors: | Feng, N, Liu, W. | | Deposit date: | 2020-10-27 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
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7DCS
 | | Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (23 bp) | | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*GP*A)-3'), Heat shock factor protein 1, ... | | Authors: | Feng, N, Liu, W. | | Deposit date: | 2020-10-27 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
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7CR1
 | | human KCNQ2 in complex with ztz240 | | Descriptor: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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