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5WVX
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BU of 5wvx by Molmil
Crystal Structure of bifunctional Kunitz type Trypsin /amylase inhibitor (AMTIN) from the tubers of Alocasia macrorrhiza
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, CITRIC ACID, Trypsin/chymotrypsin inhibitor
著者Palayam, M, Radhakrishnan, M, Lakshminarayanan, K, Balu, K.E, Ganapathy, J, Krishnasamy, G.
登録日2016-12-29
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structural insights into a multifunctional inhibitor, 'AMTIN' from tubers of Alocasia macrorrhizos and its possible role in dengue protease (NS2B-NS3) inhibition.
Int. J. Biol. Macromol., 113, 2018
2MJO
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BU of 2mjo by Molmil
NMR structure of p75 transmembrane domain C257A mutant in DPC micelles
分子名称: Tumor necrosis factor receptor superfamily member 16
著者Nadezhdin, K, Arseniev, A, Goncharuk, S, Mineev, K.
登録日2014-01-15
公開日2015-01-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis of p75 Transmembrane Domain Dimerization.
J. Biol. Chem., 291, 2016
6LDX
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BU of 6ldx by Molmil
Structure antibody E6 in complex with methylated peptide
分子名称: CHLORIDE ION, Fab Heavy chain, Fab light chain, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6LDY
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BU of 6ldy by Molmil
Structure antibody D6 in complex with methylated peptide
分子名称: CALCIUM ION, CHLORIDE ION, Fab heavy chain, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6LDW
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BU of 6ldw by Molmil
Structure of antibody C9 in complex with methylated peptide
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6LDV
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BU of 6ldv by Molmil
Structure antibody F9 in complex with methylated peptide
分子名称: Fab heavy chain, Fab light chain, GLY-M3L-GLY-GLY-THR-TYR-PRO, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
2MIC
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BU of 2mic by Molmil
NMR structure of p75 transmembrane domain in DPC micelles
分子名称: Tumor necrosis factor receptor superfamily member 16
著者Nadezhdin, K, Arseniev, A, Goncharuk, S, Mineev, K.
登録日2013-12-12
公開日2014-12-24
最終更新日2017-09-06
実験手法SOLUTION NMR
主引用文献Structural Basis of p75 Transmembrane Domain Dimerization.
J. Biol. Chem., 291, 2016
3QHM
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BU of 3qhm by Molmil
Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii
分子名称: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Kim, H.-W, Ishikawa, K.
登録日2011-01-26
公開日2012-02-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
5NSD
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BU of 5nsd by Molmil
Co-crystal structure of NAMPT dimer with KPT-9274
分子名称: (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ...
著者Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D.
登録日2017-04-26
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
3QHO
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BU of 3qho by Molmil
Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii
分子名称: 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Kim, H.-W, Ishikawa, K.
登録日2011-01-26
公開日2012-02-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
3QHN
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BU of 3qhn by Molmil
Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from pyrococcus horikoshii
分子名称: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Kim, H.-W, Ishikawa, K.
登録日2011-01-26
公開日2012-02-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
7K5N
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BU of 7k5n by Molmil
Ligand binding domain (tandem PAS/dCache) of Aeromonas caviae diguanylate cyclase with proline bound
分子名称: GLYCEROL, PROLINE, Sensor domain-containing diguanylate cyclase
著者Sweeney, E.G, Remington, S.J.
登録日2020-09-17
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Host-emitted amino acid cues regulate bacterial chemokinesis to enhance colonization.
Cell Host Microbe, 29, 2021
5N7W
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BU of 5n7w by Molmil
Computationally designed functional antibody
分子名称: Antibody Fragment Heavy Chain, Antibody Fragment Light Chain, Interleukin-17A
著者Hargreaves, D, Breed, J.
登録日2017-02-21
公開日2018-11-14
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational Design of Epitope-Specific Functional Antibodies.
Cell Rep, 25, 2018
4ZDG
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BU of 4zdg by Molmil
Structure of the Adenovirus 14p1 knob domain
分子名称: Fiber protein
著者Fender, P, Ducournau, C, Zubieta, C.
登録日2015-04-17
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Intracellular Signaling and Desmoglein 2 Shedding Triggered by Human Adenoviruses Ad3, Ad14, and Ad14P1.
J.Virol., 89, 2015
3GFE
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BU of 3gfe by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
著者Mohr, C, Jordan, S.
登録日2009-02-26
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3PNA
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BU of 3pna by Molmil
Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Kim, C, Taylor, S.
登録日2010-11-18
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design.
Mol Cell Proteomics, 10, 2011
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-10
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
3ITZ
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BU of 3itz by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor
分子名称: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14
著者Mohr, C, Jordan, S.
登録日2009-08-28
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 20, 2010
2LJ7
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BU of 2lj7 by Molmil
3D solution structure of plant defensin Lc-def
分子名称: Defensin Lc-def
著者Shenkarev, Z, Mineev, K, Gizatullina, A.
登録日2011-09-07
公開日2012-09-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Heterologous expression and solution structure of defensin from lentil Lens culinaris.
Biochem.Biophys.Res.Commun., 451, 2014
4Q6E
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BU of 4q6e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide
分子名称: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
3UB9
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BU of 3ub9 by Molmil
Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with hydroxyurea bound
分子名称: GLYCEROL, N-HYDROXYUREA, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
7FGL
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BU of 7fgl by Molmil
The complex structure of PHF core domain peptide of tau, VQIVYK, and antibody's Fab domain.
分子名称: AMMONIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Tsuchida, T, Tsuchiya, T, Miyamoto, K, In, Y, Minoura, K, Taniguchi, T, Ishida, T, Tomoo, K.
登録日2021-07-27
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The cross-reaction complex structure with VQIVYK of tau and the antibody's Fab domain.
To Be Published
2LUS
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BU of 2lus by Molmil
NMR structure of Carcinoscorpius rotundicauda thioredoxin related protein 16 and its role in regulating transcription factor NF-kB activity
分子名称: Thioredoxion
著者Giri, P.K, Fan, J, Kunchithapadam, S, Sivaraman, J.
登録日2012-06-21
公開日2012-07-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR structure of Carcinoscorpius rotundicauda thioredoxin-related protein 16 and its role in regulating transcription factor NF-kB activity.
J.Biol.Chem., 287, 2012

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