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5TT7
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Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-11-01
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
5VMP
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BU of 5vmp by Molmil
Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
分子名称: 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J.
登録日2017-04-28
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
7DLX
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BU of 7dlx by Molmil
crystal structure of H2AM4>Z-H2B
分子名称: Histone H2B,Histone H2A
著者Dai, L.C, Zhou, Z.
登録日2020-11-30
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Recognition of the inherently unstable H2A nucleosome by Swc2 is a major determinant for unidirectional H2A.Z exchange.
Cell Rep, 35, 2021
1MOE
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BU of 1moe by Molmil
The three-dimensional structure of an engineered scFv T84.66 dimer or diabody in VL to VH linkage.
分子名称: SULFATE ION, anti-CEA mAb T84.66
著者Carmichael, J.A, Power, B.E, Garrett, T.P.J, Yazaki, P.J, Shively, J.E, Raubischek, A.A, Wu, A.M, Hudson, P.J.
登録日2002-09-09
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Crystal Structure of an Anti-CEA scFv Diabody Assembled from T84.66 scFvs in VL-to-VH Orientation: Implications for Diabody Flexibility
J.Mol.Biol., 326, 2003
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 ACE2
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPZ
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Structure of PDF-2180-COV RBD binding to Bat37 ACE2
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, Angiotensin-converting enzyme, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WFF
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Subcomplexes B,M and L in the Cylic electron transfer supercomplex NDH-PSI from Arabidopsis
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, FE2/S2 (INORGANIC) CLUSTER, ...
著者Pan, X.W, Li, M.
登録日2021-12-26
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
7WG5
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Cyclic electron transport supercomplex NDH-PSI from Arabidopsis
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Pan, X.W, Li, M.
登録日2021-12-28
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
7WFE
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Right PSI in the cyclic electron transfer supercomplex NDH-PSI from Arabidopsis
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Pan, X.W, Li, M.
登録日2021-12-26
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
7WFG
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Subcomplexes A and E in NDH complex from Arabidopsis
分子名称: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase subunit H, chloroplastic, ...
著者Pan, X.W, Li, M.
登録日2021-12-26
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
7WFD
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BU of 7wfd by Molmil
Left PSI in the cyclic electron transport supercomplex NDH-PSI from Arabidopsis
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Pan, X, Li, M.
登録日2021-12-26
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
7WL4
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BU of 7wl4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50
分子名称: Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
著者Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors.
Bioorg.Chem., 127, 2022
5VG2
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BU of 5vg2 by Molmil
Intradiol ring-cleavage Dioxygenase from Tetranychus urticae
分子名称: CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase
著者Schlachter, C, Klapper, V, Chruszcz, M.
登録日2017-04-10
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
7DJJ
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BU of 7djj by Molmil
Structure of four truncated and mutated forms of quenching protein lumenal domains
分子名称: Protein SUPPRESSOR OF QUENCHING 1, chloroplastic, SODIUM ION, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.69806433 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
7DJM
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BU of 7djm by Molmil
Structure of four truncated and mutated forms of quenching protein
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Protein SUPPRESSOR OF QUENCHING 1, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.70000112 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
7DJK
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BU of 7djk by Molmil
Structure of four truncated and mutated forms of quenching protein
分子名称: CHLORIDE ION, Protein SUPPRESSOR OF QUENCHING 1, chloroplastic, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.80145121 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
7DJL
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BU of 7djl by Molmil
Structure of four truncated and mutated forms of quenching protein
分子名称: CHLORIDE ION, Protein SUPPRESSOR OF QUENCHING 1, chloroplastic, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96077824 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
5N8D
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BU of 5n8d by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P21 native
分子名称: CHLORIDE ION, Fiber, GLYCEROL
著者Singh, A.K, van Raaij, M.J.
登録日2017-02-23
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
7XRC
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BU of 7xrc by Molmil
Crystal Structure of the dimeric Brn2 (Pou3f2) POU domain bound to palindromic MORE DNA
分子名称: More palindromic Oct factor Recognition Element (MORE), POU domain protein
著者Tan, D.S.Y, Jauch, R.
登録日2022-05-10
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The homeodomain of Oct4 is a dimeric binder of methylated CpG elements.
Nucleic Acids Res., 51, 2023
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
分子名称: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Oganesyan, V, Wu, H, Dall'Acqua, W.F.
登録日2008-01-25
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of a human Fc fragment engineered for lack of effector functions.
Acta Crystallogr.,Sect.D, 64, 2008
5HEZ
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BU of 5hez by Molmil
JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209
分子名称: CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ...
著者Ultsch, M, Eigenbrot, C.
登録日2016-01-06
公開日2016-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity.
Sci Transl Med, 8, 2016
6EOX
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BU of 6eox by Molmil
Crystal structure of MMP12 in complex with carboxylic inhibitor LP165.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-05
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4XCT
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BU of 4xct by Molmil
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
分子名称: (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ...
著者Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A.
登録日2014-12-18
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
4PM1
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BU of 4pm1 by Molmil
Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol
分子名称: (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol, 1,2-ETHANEDIOL, Transthyretin
著者Stura, E.A, Ciccone, L.
登録日2014-05-20
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014

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