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7JGY
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Solution NMR structure of protonectin, a peptide from wasp
分子名称: Protonectin peptide ILE-LEU-GLY-THR-ILE-LEU-GLY-LEU-LEU-LYS-GLY-LEU-NH2
著者Muller, J.A.I, Craik, D.J, Koehbach, J.
登録日2020-07-20
公開日2020-12-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus.
Chembiochem, 22, 2021
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
著者Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-07-11
公開日2020-07-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
6PWH
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BU of 6pwh by Molmil
Cystal structure of Myotoxin II from Bothrops moojeni co-crystallized with Varespladib (LY315920)
分子名称: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE
著者Salvador, G.H.M, Fontes, M.R.M.
登録日2019-07-23
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structural basis for phospholipase A2-like toxin inhibition by the synthetic compound Varespladib (LY315920).
Sci Rep, 9, 2019
6OH1
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IgA1 Protease G5 domain structure
分子名称: Immunoglobulin A1 protease
著者Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N.
登録日2019-04-04
公開日2020-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Streptococcus pneumoniae G5 domains bind different ligands.
Protein Sci., 28, 2019
7JGX
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BU of 7jgx by Molmil
Solution NMR structure of neuroVAL, a derived peptide from wasp
分子名称: neuroVAL derived peptide ILE-PHE-TRP-LEU-PHE-ARG-GLY-LYS-ALA-ASP-VAL-ALA-LEU-NH2
著者Muller, J.A.I, Craik, D.J, Koehbach, J.
登録日2020-07-20
公開日2020-12-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus.
Chembiochem, 22, 2021
7JHF
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BU of 7jhf by Molmil
Solution NMR structure of protonectin-F, a derived peptide from wasp
分子名称: Protonectin-F derived peptide ILE-PHE-GLY-THR-ILE-LEU-GLY-PHE-LEU-LYS-GLY-LEU-NH2
著者Muller, J.A.I, Craik, D.J, Koehbach, J.
登録日2020-07-20
公開日2020-12-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus.
Chembiochem, 22, 2021
7KQV
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BU of 7kqv by Molmil
Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum
分子名称: Aldehyde dehydrogenase
著者Lee, S.G, Jez, J.M.
登録日2020-11-17
公開日2021-11-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
7KRG
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BU of 7krg by Molmil
Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION
著者Lee, S.G, Jez, J.M.
登録日2020-11-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03797364 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
6LXT
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BU of 6lxt by Molmil
Structure of post fusion core of 2019-nCoV S2 subunit
分子名称: Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION
著者Zhu, Y, Sun, F.
登録日2020-02-11
公開日2020-02-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
7LXA
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BU of 7lxa by Molmil
T4 lysozyme mutant L99A
分子名称: (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-03-03
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOG
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BU of 7log by Molmil
T4 lysozyme mutant L99A in complex with 3-butylpyridine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ...
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-02-10
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
2C2T
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BU of 2c2t by Molmil
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate
分子名称: (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W.
登録日2005-09-30
公開日2007-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
2BKJ
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BU of 2bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI COMPLEXED WITH NAD+
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanner, J.J, TU, S.-C, Krause, K.L.
登録日1998-07-23
公開日1999-09-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Unusual folded conformation of nicotinamide adenine dinucleotide bound to flavin reductase P.
Protein Sci., 8, 1999
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MQF
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BU of 6mqf by Molmil
Myotoxin II from Bothrops moojeni complexed with Acetylsalicylic acid
分子名称: 2-(ACETYLOXY)BENZOIC ACID, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE
著者Salvador, G.H.M, Fontes, M.R.M.
登録日2018-10-09
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Sci Rep, 9, 2019
7M96
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BU of 7m96 by Molmil
Bovine sigma-2 receptor bound to Z4857158944
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M95
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Bovine sigma-2 receptor bound to Z1241145220
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7MFI
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BU of 7mfi by Molmil
Bovine sigma-2 receptor bound to cholesterol
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-04-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M94
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Bovine sigma-2 receptor bound to Roluperidone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M93
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BU of 7m93 by Molmil
Bovine sigma-2 receptor bound to PB28
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R, Picard, M.-E, Manenda, M.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MQD
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BU of 6mqd by Molmil
Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid
分子名称: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Basic phospholipase A2 homolog 2
著者Salvador, G.H.M, Fontes, M.R.M.
登録日2018-10-09
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Sci Rep, 9, 2019
7N0R
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BU of 7n0r by Molmil
Structure of the SARS-CoV-2 N protein RNA-binding domain bound to single-domain antibody C2
分子名称: Nucleoprotein, SULFATE ION, Single-domain antibody C2
著者Ye, Q, Corbett, K.D.
登録日2021-05-25
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Basis for SARS-CoV-2 Nucleocapsid Protein Recognition by Single-Domain Antibodies.
Front Immunol, 12, 2021
7N0I
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BU of 7n0i by Molmil
Structure of the SARS-CoV-2 N protein C-terminal domain bound to single-domain antibody E2
分子名称: ACETATE ION, MAGNESIUM ION, Nucleoprotein, ...
著者Ye, Q, Corbett, K.D.
登録日2021-05-25
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for SARS-CoV-2 Nucleocapsid Protein Recognition by Single-Domain Antibodies.
Front Immunol, 12, 2021
2E3E
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BU of 2e3e by Molmil
NMR structure of DEF-BBB, a mutant of anopheles defensin DEF-AAA
分子名称: defensin, mutant DEF-BBB
著者Landon, C, Barbault, F, Vovelle, F.
登録日2006-11-22
公開日2007-11-13
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Rational design of peptides active against the gram positive bacteria Staphylococcus aureus
Proteins, 72, 2008

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