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3KKI
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BU of 3kki by Molmil
PLP-Dependent Acyl-CoA transferase CqsA
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CAI-1 autoinducer synthase, MAGNESIUM ION, ...
著者Kelly, R.C, Jeffrey, P.D, Hughson, F.M.
登録日2009-11-05
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Vibrio cholerae quorum-sensing autoinducer CAI-1: analysis of the biosynthetic enzyme CqsA.
Nat.Chem.Biol., 5, 2009
1RJI
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BU of 1rji by Molmil
Solution Structure of BmKX, a novel potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch
分子名称: potassium channel toxin KX
著者Cai, Z, Wu, J, Xu, Y, Wang, C.-G, Chi, C.-W, Shi, Y.
登録日2003-11-19
公開日2003-12-09
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献A novel short-chain peptide BmKX from the Chinese scorpion Buthus martensi karsch, sequencing, gene cloning and structure determination
Toxicon, 45, 2005
8S7C
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BU of 8s7c by Molmil
Ternary Complex of Cachd1, FZD5 and LRP6
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, Frizzled-5, ...
著者Zhao, Y, Ren, J, Jones, E.Y.
登録日2024-02-29
公開日2024-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Science, 384, 2024
4E86
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BU of 4e86 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29Aba mutant)
分子名称: CHLORIDE ION, Defensin-5
著者Wu, X, Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
1SGP
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BU of 1sgp by Molmil
ALA 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
分子名称: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2023-07-22
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
4E83
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BU of 4e83 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
分子名称: CHLORIDE ION, Defensin-5
著者Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4E82
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BU of 4e82 by Molmil
Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe mutant)
分子名称: Defensin-5
著者Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
1SGQ
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BU of 1sgq by Molmil
GLY 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGR
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BU of 1sgr by Molmil
LEU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
分子名称: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yun, C.-H, Park, E, Eck, M.J.
登録日2015-08-07
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
5DRZ
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BU of 5drz by Molmil
Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide
分子名称: Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ...
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2015-09-16
公開日2016-10-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240.
Sci Rep, 6, 2016
4HEB
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BU of 4heb by Molmil
The Crystal structure of Maf protein of Bacillus subtilis
分子名称: Septum formation protein Maf, UNKNOWN ATOM OR ION
著者Dong, A, Dombrovski, L, Brown, G, Flick, R, Tchigvintsev, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Iakounine, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-10-03
公開日2012-10-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
7VD4
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BU of 7vd4 by Molmil
Crystal structure of BPTF-BRD with ligand TP248 bound
分子名称: 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B.
登録日2021-09-06
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85659146 Å)
主引用文献Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
7F5C
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BU of 7f5c by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65004492 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57150865 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5E
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BU of 7f5e by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
分子名称: N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20017123 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
8HZ8
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BU of 8hz8 by Molmil
Structure of PPIA in complex with the peptide of NRF2
分子名称: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
著者Wanyan, W, Hui, M, Jin, H, Lu, W.
登録日2023-01-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of PPIA in complex with the peptide of NRF2
To Be Published
5FEQ
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BU of 5feq by Molmil
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
分子名称: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-17
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5H21
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Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
分子名称: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2016-10-13
公開日2017-07-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
5IML
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BU of 5iml by Molmil
Nanobody targeting human Vsig4 in Spacegroup P212121
分子名称: Nanobody, V-set and immunoglobulin domain-containing protein 4
著者Wen, Y.
登録日2016-03-06
公開日2017-01-11
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
5IMK
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Nanobody targeting human Vsig4 in Spacegroup C2
分子名称: Nanobody, V-set and immunoglobulin domain-containing protein 4
著者Wen, Y.
登録日2016-03-06
公開日2017-01-11
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.227 Å)
主引用文献Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
5IMO
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Nanobody targeting mouse Vsig4 in Spacegroup P3221
分子名称: Nanobody, Protein Vsig4
著者Wen, Y, Zheng, F.
登録日2016-03-06
公開日2017-01-11
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017

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