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7Y0L
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BU of 7y0l by Molmil
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
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
8HQ3
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BU of 8hq3 by Molmil
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
8HQ6
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BU of 8hq6 by Molmil
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
8J4T
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BU of 8j4t by Molmil
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
5WKT
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BU of 5wkt by Molmil
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
5XBW
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BU of 5xbw by Molmil
The structure of BrlR
分子名称: Probable transcriptional regulator
著者Wang, F, Qing, H, Gu, L.
登録日2017-03-21
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.109 Å)
主引用文献BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XBI
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BU of 5xbi by Molmil
The structure of BrlR-C domain bound to 3-amino-2-phenazino(a pyocyanin analog)
分子名称: 3-azanylphenazin-2-ol, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator
著者Wang, F, Qing, H, Gu, L.
登録日2017-03-17
公開日2018-03-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XBT
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BU of 5xbt by Molmil
The structure of BrlR bound to 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), DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Wang, F, Qing, H, Gu, L.
登録日2017-03-21
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XSN
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BU of 5xsn by Molmil
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
5XSI
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BU of 5xsi by Molmil
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
5XSP
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BU of 5xsp by Molmil
The catalytic domain of GdpP with 5'-pApA
分子名称: ADENOSINE-5'-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2023-11-22
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
5XT3
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BU of 5xt3 by Molmil
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
6A06
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BU of 6a06 by Molmil
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
6A04
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BU of 6a04 by Molmil
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
6A05
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BU of 6a05 by Molmil
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
6A03
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BU of 6a03 by Molmil
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
7DO4
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BU of 7do4 by Molmil
Crystal structure of CD97-CD55 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Niu, M, Song, G.
登録日2020-12-11
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs.
J.Biol.Chem., 296, 2021
7EAK
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BU of 7eak by Molmil
Echovirus3 full particle in complex with 5G3 fab
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Feng, R.
登録日2021-03-07
公開日2021-07-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAH
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BU of 7eah by Molmil
Echovirus3 empty expanded particle
分子名称: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3
著者Feng, R.
登録日2021-03-07
公開日2021-07-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAI
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BU of 7eai by Molmil
Echovirus3 empty compacted particle
分子名称: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ...
著者Feng, R.
登録日2021-03-07
公開日2021-07-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAJ
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BU of 7eaj by Molmil
Echovirus3 empty expanded particle in complex with 5G3 fab
分子名称: VP0, VP1, VP3, ...
著者Feng, R.
登録日2021-03-07
公開日2021-07-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
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 (1.4 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JNT
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BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
著者Muckelbauer, J.K.
登録日2020-08-05
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 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
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
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 (1.65 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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件を2024-05-15に公開中

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