6CD4
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CD5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CJ2
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. Acs Chem.Biol., 13, 2018
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6CJ1
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | Descriptor: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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8UVK
| CosR DNA bound form II | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*T)-3'), ... | Authors: | Zhang, Z. | Deposit date: | 2023-11-03 | Release date: | 2024-01-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator. Mbio, 15, 2024
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8W6O
| NaS1 in IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6G
| NaDC1 with inhibitor ACA | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6H
| NaS1 with sulfate - IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, SULFATE ION, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6T
| NaS1 in IN/OUT state | Descriptor: | Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6N
| NaS1 with sulfate in IN/OUT state | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6D
| CryoEM structure of NaDC1 in apo state | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8UUZ
| Campylobacter jejuni CosR apo form | Descriptor: | DNA-binding response regulator | Authors: | Zhang, Z. | Deposit date: | 2023-11-02 | Release date: | 2024-01-31 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator. Mbio, 15, 2024
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8UVX
| CosR DNA bound form I | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*TP*TP*TP*GP*GP*TP*TP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*T)-3'), DNA-binding response regulator | Authors: | Zhang, Z. | Deposit date: | 2023-11-05 | Release date: | 2024-01-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator. Mbio, 15, 2024
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6K7P
| Crystal structure of human AFF4-THD domain | Descriptor: | AF4/FMR2 family member 4 | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | Deposit date: | 2019-06-08 | Release date: | 2020-03-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription. Cell Discov, 6, 2020
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8HPU
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8HPF
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8HQ7
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8H92
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7FC0
| Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | Authors: | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | Deposit date: | 2021-07-13 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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7DZ9
| MbnABC complex | Descriptor: | FE (III) ION, MbnA, MbnB, ... | Authors: | Chao, D, Dan, Z, Yijun, G, Wei, C. | Deposit date: | 2021-01-25 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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7CWQ
| Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | Descriptor: | DLH domain-containing protein, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7CY0
| Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7W1N
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W44
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W45
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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