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4P9Z
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BU of 4p9z by Molmil
Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Clements, J.H, Martin, S.F.
登録日2014-04-06
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
8GSC
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BU of 8gsc by Molmil
Echovirus3 A-particle in complex with 6D10 Fab
分子名称: Heavy chain of 6D10, Light chain of 6D10, VP1, ...
著者Wang, X, Fu, W.
登録日2022-09-06
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
5VCE
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BU of 5vce by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
6CH6
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BU of 6ch6 by Molmil
Dehaloperoxidase B in complex with substrate 2,4-dimethoxyphenol
分子名称: 2,4-dimethoxyphenol, Dehaloperoxidase B, GLYCEROL, ...
著者de Serrano, V.S, Carey, L.M, Ghiladi, R.A.
登録日2018-02-22
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
5UTC
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BU of 5utc by Molmil
Deoxy form of sperm whale myoglobin V68A/I107Y
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5UTK
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BU of 5utk by Molmil
Crystal structure of the membrane proximal three fibronectin type III (FNIII) domains of Tie2 (Tie2[FNIIIa-c])
分子名称: Angiopoietin-1 receptor
著者Moore, J.O, Lemmon, M.A, Ferguson, K.M.
登録日2017-02-15
公開日2017-04-12
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dimerization of Tie2 mediated by its membrane-proximal FNIII domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7V2G
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BU of 7v2g by Molmil
The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2021-08-09
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid
To Be Published
5UVL
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BU of 5uvl by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
6A9C
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BU of 6a9c by Molmil
Crystal Structure c-terminal SH3 domain of Myosin IB from Entamoeba histolytica bound to EhFP10(GEF) peptide.
分子名称: Peptide from Rho guanine nucleotide exchange factor, SULFATE ION, Unconventional myosin IB
著者Gautam, G, Gourinath, S.
登録日2018-07-13
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献EhFP10: A FYVE family GEF interacts with myosin IB to regulate cytoskeletal dynamics during endocytosis in Entamoeba histolytica.
Plos Pathog., 15, 2019
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
8GXB
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BU of 8gxb by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NAD+
分子名称: MAGNESIUM ION, NAD+ II riboswitch, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Xu, X.C, Ren, A.M.
登録日2022-09-19
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
7D7V
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BU of 7d7v by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+) and U1A protein
分子名称: 17delU1A (58-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, H, Ren, A.M.
登録日2020-10-06
公開日2020-11-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
5UT7
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BU of 5ut7 by Molmil
Wild-type sperm whale myoglobin with nitrite
分子名称: GLYCEROL, Myoglobin, NITRITE ION, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
8GXC
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BU of 8gxc by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NMN
分子名称: 61-mer RNA, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Xu, X.C, Ren, A.M.
登録日2022-09-19
公開日2023-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
5ZZE
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BU of 5zze by Molmil
Crystal structure of horse myoglobin crystallized by ammonium sulfate
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
登録日2018-06-01
公開日2019-02-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
7D0W
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BU of 7d0w by Molmil
Crystal structure of Hen Egg White Lysozyme
分子名称: CHLORIDE ION, Lysozyme C
著者Iqbal, S, Krishnasamy, G.
登録日2020-09-12
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Hen Egg White Lysozyme
To Be Published
6C3J
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BU of 6c3j by Molmil
The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
分子名称: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2018-01-09
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
To Be Published
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
6A15
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BU of 6a15 by Molmil
Structure of CYP90B1 in complex with cholesterol
分子名称: CHLORIDE ION, CHOLESTEROL, Cytochrome P450 90B1, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
6A1F
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BU of 6a1f by Molmil
Crystal structure of human DYRK1A in complex with compound 14
分子名称: 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
5VH1
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BU of 5vh1 by Molmil
Crystal Structure of Chicken Gamma S Crystallin
分子名称: Gamma S-crystallin
著者Sagar, V, Wistow, G.
登録日2017-04-12
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Chicken gamma S-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the beta gamma-Crystallins.
Structure, 25, 2017
5ZUL
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BU of 5zul by Molmil
Small heat shock protein from Mycobacterium marinum M : Form-3
分子名称: Small heat shock protein
著者Bhandari, S, Suguna, K.
登録日2018-05-08
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
7LAD
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BU of 7lad by Molmil
Clobetasol propionate bound to CYP3A5
分子名称: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
著者Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T.
登録日2021-01-06
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
6KRC
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BU of 6krc by Molmil
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Yuan, H, Lin, Y.W.
登録日2019-08-21
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases.
Acs Catalysis, 10, 2020

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件を2024-08-07に公開中

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