7JNT
 
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7JPY
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7JQ4
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7JOU
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7JQ0
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7JOV
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7JQ1
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7JPZ
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | | 著者 | Yang, K, Liu, W. | | 登録日 | 2020-08-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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7JQ5
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7JQ3
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | 分子名称: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | | 主引用文献 | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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7Y4I
 | | Crystal structure of SPINDLY in complex with GDP | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | | 著者 | Xu, S.T, Wan, L.H. | | 登録日 | 2022-06-14 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY.
Nat Commun, 13, 2022
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7YD2
 | | SulE_P44R_S209A | | 分子名称: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, ... | | 著者 | Liu, B, Ran, T, Wang, W, He, J. | | 登録日 | 2022-07-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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7Y0L
 | | SulE-S209A | | 分子名称: | Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | 著者 | Liu, B, Ran, T, He, J, Wang, W. | | 登録日 | 2022-06-05 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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5XSN
 | | The catalytic domain of GdpP with c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides | | 著者 | Wang, F, Gu, L. | | 登録日 | 2017-06-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
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5XSP
 | | The catalytic domain of GdpP with 5'-pApA | | 分子名称: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides | | 著者 | Wang, F, Gu, L. | | 登録日 | 2017-06-15 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.146 Å) | | 主引用文献 | Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
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5XT3
 | | The catalytic domain of GdpP with c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides | | 著者 | Wang, F, Gu, L. | | 登録日 | 2017-06-16 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.591 Å) | | 主引用文献 | Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
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6A06
 | | Structure of pSTING complex | | 分子名称: | SULFATE ION, Stimulator of interferon genes protein, cGAMP | | 著者 | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | 登録日 | 2018-06-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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6A04
 | | Structure of pSTING complex | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein | | 著者 | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | 登録日 | 2018-06-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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6A05
 | | Structure of pSTING complex | | 分子名称: | 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein | | 著者 | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | 登録日 | 2018-06-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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6A03
 | | Structure of pSTING complex | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | | 著者 | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | 登録日 | 2018-06-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | | 主引用文献 | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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5XSI
 | | The catalytic domain of GdpP | | 分子名称: | MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides | | 著者 | Wang, F, Gu, L. | | 登録日 | 2017-06-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
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6IYF
 | | Structure of pSTING complex | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | | 著者 | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | 登録日 | 2018-12-15 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.764 Å) | | 主引用文献 | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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8HQ6
 | | KL2 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8HQ3
 | | KL1 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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