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5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
分子名称: Beclin-1, UV radiation resistance associated protein
著者Pan, X, Zhao, Y, He, Y.
登録日2017-11-08
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2YOJ
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BU of 2yoj by Molmil
HCV NS5B polymerase complexed with pyridonylindole compound
分子名称: 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
著者Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G.
登録日2012-10-24
公開日2013-10-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
2LFN
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BU of 2lfn by Molmil
Identification of the key regions that drive functional amyloid formation by the fungal hydrophobin EAS
分子名称: Hydrophobin
著者Macindoe, I, Kwan, A.H, Morris, V.K, Mackay, J.P, Sunde, M.
登録日2011-07-06
公開日2012-01-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Self-assembly of functional, amphipathic amyloid monolayers by the fungal hydrophobin EAS
Proc.Natl.Acad.Sci.USA, 109, 2012
4N9J
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BU of 4n9j by Molmil
Crystal structure of the cryptic polo box domain of human Plk4
分子名称: CHLORIDE ION, SULFATE ION, Serine/threonine-protein kinase PLK4
著者Ku, B, Kim, J.H, Lee, K.S, Kim, S.J.
登録日2013-10-21
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Molecular basis for unidirectional scaffold switching of human Plk4 in centriole biogenesis.
Nat.Struct.Mol.Biol., 21, 2014
4ICK
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BU of 4ick by Molmil
Crystal structure of human AP4A hydrolase E58A mutant
分子名称: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], GLYCEROL, MAGNESIUM ION, ...
著者Ge, H, Chen, X.
登録日2012-12-10
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of wild-type and mutant human Ap4A hydrolase.
Biochem.Biophys.Res.Commun., 432, 2013
7XEM
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BU of 7xem by Molmil
Cholesterol bound state of mTRPV2
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEO
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BU of 7xeo by Molmil
MbetaCD treated state of mTRPV2
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
4IJX
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BU of 4ijx by Molmil
Crystal structure of human Ap4A hydrolase E58A mutant complexed with DPO
分子名称: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], DIPHOSPHATE, GLYCEROL, ...
著者Ge, H, Chen, X.
登録日2012-12-24
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of wild-type and mutant human Ap4A hydrolase.
Biochem.Biophys.Res.Commun., 432, 2013
7YEP
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BU of 7yep by Molmil
2-APB bound state of mTRPV2
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-07-06
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
4J3D
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BU of 4j3d by Molmil
Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor
分子名称: N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Lahiri, S.
登録日2013-02-05
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
6AUD
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BU of 6aud by Molmil
PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
分子名称: 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Ultsch, M.
登録日2017-08-31
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2018-01-02
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7T3V
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BU of 7t3v by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者Webb, C.T, McGowan, S.
登録日2021-12-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
7TO4
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BU of 7to4 by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-22
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
7TNW
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BU of 7tnw by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-21
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
7SBQ
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BU of 7sbq by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Kappa variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBP
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BU of 7sbp by Molmil
Closed state of pre-fusion SARS-CoV-2 Kappa variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBR
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BU of 7sbr by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Kappa variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBO
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BU of 7sbo by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Delta variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBT
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BU of 7sbt by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Gamma variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-10
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021

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件を2024-08-14に公開中

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