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6FVC
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Protein environment affects the water-tryptophan binding mode. Molecular dynamics simulations of Engrailed homeodomain mutants
分子名称: Segmentation polarity homeobox protein engrailed
著者Trosanova, Z, Zachrdla, M, Jansen, S, Srb, P, Zidek, L, Kozelka, J.
登録日2018-03-02
公開日2019-04-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants.
Phys Chem Chem Phys, 20, 2018
1BK1
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ENDO-1,4-BETA-XYLANASE C
分子名称: ENDO-1,4-B-XYLANASE C
著者Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H.
登録日1998-07-14
公開日1999-01-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998
1CD1
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BU of 1cd1 by Molmil
CD1(MOUSE) ANTIGEN PRESENTING MOLECULE
分子名称: CD1
著者Zeng, Z.H, Segelke, B.W, Wilson, I.A.
登録日1997-04-02
公開日1997-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of mouse CD1: An MHC-like fold with a large hydrophobic binding groove.
Science, 277, 1997
6GFC
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BU of 6gfc by Molmil
Structure of the BTB/POZ domain of human 90K
分子名称: Galectin-3-binding protein
著者Ssebyatika, G, Krey, T.
登録日2018-04-29
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Antiviral Activity of the Cellular Glycoprotein LGALS3BP/90K Is Species Specific.
J. Virol., 92, 2018
1D5M
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BU of 1d5m by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
著者Swain, A.L, Crowther, R, Kammlott, U.
登録日1999-10-07
公開日2000-06-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
6GFB
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BU of 6gfb by Molmil
Structure of the BTB/POZ domain of human 90K
分子名称: Galectin-3-binding protein, ZINC ION
著者Ssebyatika, G, Krey, T.
登録日2018-04-29
公開日2018-05-09
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Antiviral Activity of the Cellular Glycoprotein LGALS3BP/90K Is Species Specific.
J. Virol., 92, 2018
6FKK
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Drosophila Semaphorin 1b, extracellular domains 1-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rozbesky, D, Harlos, K, Jones, E.Y.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
6FKN
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Drosophila Plexin A in complex with Semaphorin 1b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, Plexin A, ...
著者Rozbesky, D, Harlos, K, Jones, E.Y.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.801 Å)
主引用文献Structural basis of semaphorin-plexin cis interaction.
Embo J., 2020
7R53
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BU of 7r53 by Molmil
Crystal structure of human TLR8 in complex with Compound 15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.121 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R52
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Crystal structure of human TLR8 in complex with Compound 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.943 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R54
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Crystal structure of human TLR8 in complex with Compound 4
分子名称: (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.836 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
8F36
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BU of 8f36 by Molmil
Ubx Homeodomain NMR solution structure
分子名称: Homeotic protein ultrabithorax
著者Beasley, S.A, Loss, J.W, Mekkaoui, F, Advocate, M.R, Spratt, D.E.
登録日2022-11-09
公開日2023-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ubx Homeodomain NMR solution structure
To Be Published
8F37
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AbdA Homeodomain NMR Solution Structure
分子名称: Homeobox protein abdominal-A
著者Beasley, S.A, Simons, R.A, Advocate, M.R, Mekkaoui, F, Spratt, D.E.
登録日2022-11-09
公開日2023-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献AbdA Homeodomain NMR solution structure
To Be Published
7RC9
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BU of 7rc9 by Molmil
Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 21
分子名称: 2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Critton, D.A.
登録日2021-07-07
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8).
Acs Med.Chem.Lett., 13, 2022
1AMY
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BU of 1amy by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF BARLEY ALPHA-AMYLASE
分子名称: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE, CALCIUM ION
著者Kadziola, A, Haser, R.
登録日1994-03-10
公開日1995-05-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal and molecular structure of barley alpha-amylase.
J.Mol.Biol., 239, 1994
7PJ1
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BU of 7pj1 by Molmil
Solution structure of isolated Drosophila histone H2A-H2B heterodimer
分子名称: Histone H2A, Histone H2B
著者van Ingen, H, Zhang, H.
登録日2021-08-23
公開日2021-12-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Mapping the electrostatic potential of the nucleosome acidic patch.
Sci Rep, 11, 2021
1CR7
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BU of 1cr7 by Molmil
PEANUT LECTIN-LACTOSE COMPLEX MONOCLINIC FORM
分子名称: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
著者Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M.
登録日1999-08-14
公開日2001-04-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the peanut lectin-lactose complex at acidic pH: retention of unusual quaternary structure, empty and carbohydrate bound combining sites, molecular mimicry and crystal packing directed by interactions at the combining site.
Proteins, 43, 2001
7RA7
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BU of 7ra7 by Molmil
Crystal structure of rabbit anti-HIV Fab 11A
分子名称: 11A Fab heavy chain, 11A Fab light chain, PENTAETHYLENE GLYCOL, ...
著者Oyen, D, Wilson, I.A.
登録日2021-06-30
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions
To Be Published
1A8J
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BU of 1a8j by Molmil
IMMUNOGLOBULIN LAMBDA LIGHT CHAIN DIMER (MCG) COMPLEX WITH ASPARTAME
分子名称: IMMUNOGLOBULIN LAMBDA LIGHT CHAIN DIMER (MCG), N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER
著者Edmundson, A.B, Manion, C.V.
登録日1998-03-26
公開日1998-06-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Treatment of osteoarthritis with aspartame.
Clin.Pharmacol.Ther., 63, 1998
6GT6
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BU of 6gt6 by Molmil
Crystal structure of recombinant coagulation factor beta-XIIa
分子名称: CYSTEINE, Coagulation factor XII, GLYCEROL, ...
著者Pathak, M, Emsley, J.
登録日2018-06-15
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
1CFB
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BU of 1cfb by Molmil
CRYSTAL STRUCTURE OF TANDEM TYPE III FIBRONECTIN DOMAINS FROM DROSOPHILA NEUROGLIAN AT 2.0 ANGSTROMS
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, DROSOPHILA NEUROGLIAN, ...
著者Huber, A.H, Wang, Y.E, Bieber, A.J, Bjorkman, P.J.
登録日1994-08-27
公開日1994-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of tandem type III fibronectin domains from Drosophila neuroglian at 2.0 A.
Neuron, 12, 1994
6G02
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BU of 6g02 by Molmil
Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ...
著者Pachl, P, Pokorna, J.
登録日2018-03-15
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
6H3U
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BU of 6h3u by Molmil
Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A.
登録日2018-07-19
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.168 Å)
主引用文献Orthobunyavirus spike architecture and recognition by neutralizing antibodies.
Nat Commun, 10, 2019
1CYA
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BU of 1cya by Molmil
NMR STUDIES OF (U-13C)CYCLOSPORIN A BOUND TO CYCLOPHILIN: BOUND CONFORMATION AND PORTIONS OF CYCLOSPORIN INVOLVED IN BINDING
分子名称: CYCLOSPORIN A
著者Fesik, S.W.
登録日1992-02-24
公開日1994-01-31
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献NMR Studies of [U-13C]Cyclosporin a Bound to Cyclophilin: Bound Conformation and Portions of Cyclosporin Involved in Binding.
Biochemistry, 30, 1991
6EHE
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BU of 6ehe by Molmil
OmpTdeltaL8 (loop L8 deletion mutant of OmpT), an outer membrane protein of Vibrio cholerae
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ACETATE ION, MAGNESIUM ION, ...
著者van den berg, B, Pathania, M.
登録日2017-09-13
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018

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