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6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-05-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-02-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
1PWO
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BU of 1pwo by Molmil
Crystal Structure of Phospholipase A2 (MIPLA2) from Micropechis Ikaheka
分子名称: Phospholipase A2
著者Lok, S.M, Swaminathan, K.
登録日2003-07-02
公開日2005-03-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function comparison of Micropechis ikaheka snake venom phospholipase A2 isoenzymes.
Febs J., 272, 2005
6GEL
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BU of 6gel by Molmil
The structure of TWITCH-2B
分子名称: CALCIUM ION, FORMIC ACID, GLYCEROL, ...
著者Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S.
登録日2018-04-26
公開日2019-08-21
最終更新日2019-09-11
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Dynamic tuning of FRET in a green fluorescent protein biosensor.
Sci Adv, 5, 2019
6GEZ
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BU of 6gez by Molmil
THE STRUCTURE OF TWITCH-2B N532F
分子名称: CALCIUM ION, FORMIC ACID, Green fluorescent protein,Optimized Ratiometric Calcium Sensor,Green fluorescent protein,Green fluorescent protein
著者Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S.
登録日2018-04-27
公開日2019-08-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Dynamic tuning of FRET in a green fluorescent protein biosensor.
Sci Adv, 5, 2019
5KBR
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BU of 5kbr by Molmil
Pak1 in complex with 7-azaindole inhibitor
分子名称: (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone, Serine/threonine-protein kinase PAK 1
著者Ferguson, A.
登録日2016-06-03
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
5KBQ
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BU of 5kbq by Molmil
Pak1 in complex with bis-anilino pyrimidine inhibitor
分子名称: Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
著者Ferguson, A.
登録日2016-06-03
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
5VTG
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BU of 5vtg by Molmil
The structure of TamB963-1138 from Escherichia coli reveals a novel hydrophobic Beta-taco fold
分子名称: Translocation and assembly module subunit TamB
著者Grinter, R, Josts, I.
登録日2017-05-17
公開日2017-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献The Structure of a Conserved Domain of TamB Reveals a Hydrophobic beta Taco Fold.
Structure, 25, 2017
1P7O
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BU of 1p7o by Molmil
Crystal structure of phospholipase A2 (MIPLA4) from Micropechis ikaheka
分子名称: PHOSPHOLIPASE A2
著者Lok, S.M, Swaminathan, K.
登録日2003-05-05
公開日2004-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function comparison of Micropechis ikaheka snake venom phospholipase A2 isoenzymes
FEBS J., 272, 2005
1OZY
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BU of 1ozy by Molmil
Crystal Structure of Phospholipase A2 (MIPLA3) From Micropechis Ikaheka
分子名称: PHOSPHOLIPASE A2, SULFATE ION
著者Lok, S.M, Swaminathan, K.
登録日2003-04-10
公開日2004-09-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and function comparison of Micropechis ikaheka snake venom phospholipase A2 isoenzymes
FEBS J., 272, 2005
7ZH2
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BU of 7zh2 by Molmil
SARS CoV Spike protein, Closed C1 conformation
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH5
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BU of 7zh5 by Molmil
SARS CoV Spike protein, Open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH1
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BU of 7zh1 by Molmil
SARS CoV Spike protein, Closed C3 conformation
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
2M97
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BU of 2m97 by Molmil
Optimized Ratiometric Calcium Sensors For Functional In Vivo Imaging of Neurons and T-Lymphocytes
分子名称: Optimized Ratiometric Calcium Sensor
著者Russo, L, Becker, S, Griesinger, C.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Optimized ratiometric calcium sensors for functional in vivo imaging of neurons and T lymphocytes.
Nat.Methods, 11, 2014
1Y6O
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BU of 1y6o by Molmil
Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
著者Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
登録日2004-12-06
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
1Y6P
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BU of 1y6p by Molmil
Crystal structure of disulfide engineered porcine pancratic phospholipase a2 to group-x isozyme
分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
著者Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
登録日2004-12-06
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
分子名称: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
著者Orth, P.
登録日2021-08-02
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7L51
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BU of 7l51 by Molmil
Solution NMR structure of the dimeric form of the cyclic plant protein PDP-23 in H2O
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L53
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BU of 7l53 by Molmil
Solution NMR structure of the monomeric form of the cyclic plant protein PDP-23 in CD3CN/H2O
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L54
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Solution NMR structure of the cyclic plant protein PDP-23 in SDS micelles
分子名称: Cyclic plant protein PDP-23
著者Rosengren, K.J, Payne, C.D.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L55
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Solution NMR structure of the cyclic plant protein PDP-23 in DPC micelles
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7M3U
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BU of 7m3u by Molmil
Solution NMR Structure of PawS-Derived Peptide PDP-24
分子名称: PawS-Derived Peptide PDP-24
著者Payne, C.D, Rosengren, K.J.
登録日2021-03-19
公開日2021-03-31
最終更新日2022-04-13
実験手法SOLUTION NMR
主引用文献Solution NMR and racemic crystallography provide insights into a novel structural class of cyclic plant peptides.
Rsc Chem Biol, 2, 2021
2KNI
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BU of 2kni by Molmil
High-resolution solution structure of the ASIC1a blocker PcTX1
分子名称: Psalmotoxin-1
著者King, G.F, Mobli, M, Saez, N.J.
登録日2009-08-25
公開日2010-09-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A dynamic pharmacophore drives the interaction between Psalmotoxin-1 and the putative drug target acid-sensing ion channel 1a.
Mol.Pharmacol., 80, 2011
1LMM
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Solution Structure of Psmalmotoxin 1, the First Characterized Specific Blocker of ASIC1a NA+ channel
分子名称: Psalmotoxin 1
著者Escoubas, P, Bernard, C, Lazdunski, M, Darbon, H.
登録日2002-05-02
公開日2003-11-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Recombinant production and solution structure of PcTx1, the specific peptide inhibitor of ASIC1a proton-gated cation channels
Protein Sci., 12, 2003

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