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8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-25
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
3K66
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BU of 3k66 by Molmil
X-ray crystal structure of the E2 domain of C. elegans APL-1
分子名称: Beta-amyloid-like protein
著者Hoopes, J.T, Ha, Y.
登録日2009-10-08
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site
J.Biol.Chem., 285, 2010
3K6B
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BU of 3k6b by Molmil
X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS)
分子名称: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Beta-amyloid-like protein
著者Hoopes, J.T, Ha, Y.
登録日2009-10-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site
J.Biol.Chem., 285, 2010
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
分子名称: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者D'Angelo, N, Bellon, S, Whittington, D.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
分子名称: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Cheng, H.
登録日2012-11-05
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
2K3K
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BU of 2k3k by Molmil
Solution structure of Drosophila melanogaster SNF RBD1
分子名称: U1 small nuclear ribonucleoprotein A
著者Liu, C, Cui, G, Hu, J, Jin, C, Xia, B.
登録日2008-05-12
公開日2008-06-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and Functional Studies of RNA Splicing Factor Sans-Fille by Multidimentional NMR Spectroscopy
To be Published
6D2T
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BU of 6d2t by Molmil
HLA-B*57:01 presenting LALLTGVRW
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
分子名称: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
著者Stagno, J.R, Wang, Y.-X.
登録日2020-02-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6D29
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BU of 6d29 by Molmil
HLA-B*57:01 presenting TSMSFVPRPW
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
5EKE
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BU of 5eke by Molmil
Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant)
分子名称: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501
著者Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
5EKP
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BU of 5ekp by Molmil
Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (WT)
分子名称: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501
著者Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.194 Å)
主引用文献Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
6X5T
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BU of 6x5t by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3-Asn
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
6X5H
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BU of 6x5h by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP
分子名称: 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
6NDT
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BU of 6ndt by Molmil
Dehydroalanine intermediate of the FlgE D2 domain
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.424 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6DQG
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BU of 6dqg by Molmil
Human glutamate dehydrogenase, H454Y mutant
分子名称: Glutamate dehydrogenase 1, mitochondrial, PHOSPHATE ION
著者Smith, T.J.
登録日2018-06-10
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glutamate dehydrogenase: Structure of a hyperinsulinism mutant, corrections to the atomic model, and insights into a regulatory site.
Proteins, 87, 2019
7CSW
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BU of 7csw by Molmil
Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter
分子名称: HTH cro/C1-type domain-containing protein, pa2440
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
6NDX
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BU of 6ndx by Molmil
Lysinoalanine cross-linked FlgE dimer from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDV
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BU of 6ndv by Molmil
FlgE D2 domain K336A mutant
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDW
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BU of 6ndw by Molmil
Crystal structure of the wild type D2 domain (A168-T344) of the flagellar hook protein FlgE from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.725 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
分子名称: HTH cro/C1-type domain-containing protein
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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
7CSY
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BU of 7csy by Molmil
Pseudomonas aeruginosa antitoxin HigA with higBA promoter
分子名称: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
6X5R
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BU of 6x5r by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A2-Asn
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, A2-Asn, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
6O1C
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Alpha-L-fucosidase AlfC D200A mutant in complex with 4-nitrophenyl-a-L-fucopyranoside substrate
分子名称: 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, AlfC
著者Klontz, E.H, Sundberg, E.J.
登録日2019-02-19
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020

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