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5XSP
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BU of 5xsp by Molmil
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
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
7YV9
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BU of 7yv9 by Molmil
Cryo-EM structure of full-length Myosin Va in the autoinhibited state
分子名称: Calmodulin-1, Unconventional myosin-Va
著者Niu, F, Wei, Z.
登録日2022-08-19
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.78 Å)
主引用文献Autoinhibition and activation mechanisms revealed by the triangular-shaped structure of myosin Va.
Sci Adv, 8, 2022
6IYF
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BU of 6iyf 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2018-12-15
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
7WK2
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BU of 7wk2 by Molmil
SARS-CoV-2 Omicron S-close
分子名称: Spike glycoprotein
著者Li, J.W, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WKA
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BU of 7wka by Molmil
SARS-CoV-2 Omicron closed state spike protein in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK9
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BU of 7wk9 by Molmil
SARS-CoV-2 Omicron open state spike protein in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK4
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BU of 7wk4 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with ACE2, C1 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
7WK8
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BU of 7wk8 by Molmil
SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK6
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BU of 7wk6 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with human ACE2 (focus refinement on RBD-1/ACE2)
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
6J6F
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BU of 6j6f by Molmil
Ligand binding domain 1 and 2 of Talaromyces marneffei Mp1 protein
分子名称: Envelope glycoprotein, NICKEL (II) ION
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2019-01-15
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Talaromyces marneffeiMp1 Protein, a Novel Virulence Factor, Carries Two Arachidonic Acid-Binding Domains To Suppress Inflammatory Responses in Hosts.
Infect. Immun., 87, 2019
7WVN
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BU of 7wvn by Molmil
SARS-CoV-2 Omicron S-open
分子名称: Spike glycoprotein
著者Li, J.W, Cong, Y.
登録日2022-02-10
公開日2022-03-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WVO
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BU of 7wvo by Molmil
SARS-CoV-2 Omicron S-open-2
分子名称: Spike glycoprotein
著者Li, J.W, Cong, Y.
登録日2022-02-10
公開日2022-03-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
分子名称: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3HAC
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BU of 3hac by Molmil
The structure of DPP-4 in complex with piperidine fused imidazopyridine 34
分子名称: (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
分子名称: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9P
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Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9O
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Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
分子名称: Conotoxin im17a
著者Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
2Q7M
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BU of 2q7m by Molmil
Crystal structure of human FLAP with MK-591
分子名称: 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein
著者Ferguson, A.D.
登録日2007-06-07
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007

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