7WML
| A novel chemical derivative(85) of THRB agonist | Descriptor: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7WMG
| A novel chemical derivative(52) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7WMN
| A novel chemical derivative(89) of THRB agonist | Descriptor: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7WMH
| A novel chemical derivative(56) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7XI3
| Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-11 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.274 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XHV
| Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-10 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.996 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XI4
| Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-12 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.707 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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5W5D
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5W5C
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5WTW
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5WRE
| Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-12-01 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
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5WQA
| Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | Deposit date: | 2016-11-24 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata Biochem. Pharmacol., 130, 2017
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5ZXD
| Crystal structure of ATP-bound human ABCF1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1 | Authors: | Qu, L, Jiang, Y, Liu, Z.J. | Deposit date: | 2018-05-18 | Release date: | 2018-07-25 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins Structure, 26, 2018
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2JTK
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7WBB
| Cryo-EM structure of substrate engaged Drg1 hexamer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AFG2 isoform 1, substrate | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7WD3
| Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2021-12-21 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7YKZ
| Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2022-07-25 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7YKL
| Cryo-EM structure of Drg1 hexamer treated with AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2022-07-22 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7YKK
| Cryo-EM structure of Drg1 hexamer treated with ADP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2022-07-22 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7YKT
| Cryo-EM structure of Drg1 hexamer in helical state treated with ADP/AMPPNP/benzo-diazaborine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2022-07-23 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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6M4W
| Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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6M4U
| Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin | Descriptor: | CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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6M4V
| Crystal structure of MBP fused split FKBP in complex with rapamycin | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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1I1I
| NEUROLYSIN (ENDOPEPTIDASE 24.16) CRYSTAL STRUCTURE | Descriptor: | NEUROLYSIN, ZINC ION | Authors: | Brown, C.K, Madauss, K, Lian, W, Tolbert, W.D, Beck, M.R, Rodgers, D.W. | Deposit date: | 2001-02-01 | Release date: | 2001-02-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of neurolysin reveals a deep channel that limits substrate access. Proc.Natl.Acad.Sci.USA, 98, 2001
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6JMK
| Ribosomal protein S7 from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 30S ribosomal protein S7, GLYCEROL | Authors: | Li, Z, Li, J. | Deposit date: | 2019-03-11 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the complex of trigger factor chaperone and ribosomal protein S7 from Mycobacterium tuberculosis. Biochem. Biophys. Res. Commun., 512, 2019
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