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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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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5WJK
 | | 2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K | | 分子名称: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Broecker, J, Ou, W.-L, Ernst, O.P. | | 登録日 | 2017-07-23 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
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5WKT
 | | 3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K | | 分子名称: | Rhodopsin, SULFATE ION, Transducin Galpha peptide, ... | | 著者 | Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P. | | 登録日 | 2017-07-25 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 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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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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8J4T
 | | GajA-GajB complex | | 分子名称: | Endonuclease GajA, Gabija protein GajB | | 著者 | Wei, T, Ma, J, Huo, Y. | | 登録日 | 2023-04-20 | | 公開日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural and biochemical insights into the mechanism of the Gabija bacterial immunity system.
Nat Commun, 15, 2024
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7UU6
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7UU8
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7UUC
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 | | 分子名称: | 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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7UU7
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7UUB
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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7UUA
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8 | | 分子名称: | 3C-like proteinase nsp5, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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7UU9
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7UUE
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85 | | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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7UUD
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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7VFU
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | 登録日 | 2021-09-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFV
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | | 分子名称: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | 登録日 | 2021-09-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFW
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ... | | 著者 | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | 登録日 | 2021-09-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFS
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | 登録日 | 2021-09-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VLN
 | | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | | 分子名称: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | | 著者 | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | | 登録日 | 2021-10-05 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
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