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1JT4
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Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND VAL 109 REPLACED BY LEU (V109L)
分子名称: FORMIC ACID, acidic fibroblast growth factor
著者Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
登録日2001-08-20
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1JT7
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BU of 1jt7 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L44F/L73V/V109L)
分子名称: FORMIC ACID, SULFATE ION, acidic fibroblast growth factor
著者Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
登録日2001-08-20
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
3II9
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Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ...
著者Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-07-31
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments.
J.Am.Chem.Soc., 132, 2010
8U0Q
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BU of 8u0q by Molmil
Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A.
登録日2023-08-29
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
8PJ0
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Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-06-22
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
4GLF
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BU of 4glf by Molmil
Crystal structure of methylthioadenosine phosphorylase sourced from an antarctic soil metagenomic library
分子名称: RsfP
著者Bujacz, A, Bujacz, G, Cieslinski, H, Bartasun, P.
登録日2012-08-14
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A study on the interaction of rhodamine B with methylthioadenosine phosphorylase protein sourced from an antarctic soil metagenomic library.
Plos One, 8, 2013
6YUY
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BU of 6yuy by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Hillier, J, Ruza, R.R, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
3W11
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Insulin receptor ectodomain construct comprising domains L1-CR in complex with human insulin, Alpha-CT peptide(704-719) and FAB 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
6AOY
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BU of 6aoy by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG)
分子名称: 2-nitrophenyl beta-D-galactopyranoside, Fml fimbrial adhesin FmlD, SULFATE ION
著者Kalas, V, Hultgren, S.J.
登録日2017-08-16
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
1JT5
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BU of 1jt5 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L73V/V109L)
分子名称: SULFATE ION, acidic fibroblast growth factor
著者Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
登録日2001-08-20
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
4GOJ
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BU of 4goj by Molmil
The Crystal Structure of full length Arl3GppNHp in complex with UNC119a
分子名称: ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A.
登録日2012-08-20
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119.
Embo J., 31, 2012
6B9D
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BU of 6b9d by Molmil
Human ATL1 mutant - R77A bound to GDP
分子名称: Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者O'Donnell, J.P, Sondermann, H.
登録日2017-10-10
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core.
J. Biol. Chem., 293, 2018
3UTO
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BU of 3uto by Molmil
Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26)
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Castelmur, E, Barbieri, S, Mayans, O.
登録日2011-11-26
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of an N-terminal inhibitory extension as the primary mechanosensory regulator of twitchin kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
5A29
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BU of 5a29 by Molmil
Family 2 Pectate Lyase from Vibrio vulnificus
分子名称: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ...
著者McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W.
登録日2015-05-15
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
1JTC
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BU of 1jtc by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE (L44F)
分子名称: FORMIC ACID, acidic fibroblast growth factor
著者Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
登録日2001-08-20
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
8WEY
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BU of 8wey by Molmil
PSI-LHCI of the red alga Cyanidium caldarium RK-1 (NIES-2137)
分子名称: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R} )-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ...
著者Kato, K, Hamaguchi, T, Nakajima, Y, Kawakami, K, Yonekura, K, Shen, J.R, Nagao, R.
登録日2023-09-19
公開日2024-02-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (1.92 Å)
主引用文献The structure of PSI-LHCI from Cyanidium caldarium provides evolutionary insights into conservation and diversity of red-lineage LHCs.
Proc.Natl.Acad.Sci.USA, 121, 2024
6QXU
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BU of 6qxu by Molmil
Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one
分子名称: 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ...
著者Musil, D, Lehmann, D, Buchstaller, H.-P.
登録日2019-03-08
公開日2019-08-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.
J.Med.Chem., 62, 2019
3W13
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BU of 3w13 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J, Brzozowski, A.M.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.303 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
6B9G
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BU of 6b9g by Molmil
human ATL1 GTPase domain bound to GDP
分子名称: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者O'Donnell, J.P, Sondermann, H.
登録日2017-10-10
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core.
J. Biol. Chem., 293, 2018
6CG9
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BU of 6cg9 by Molmil
Crystal structure of Triosephosphate Isomerase from Zea mays (mexican corn)
分子名称: ACETATE ION, GLYCEROL, Triosephosphate isomerase, ...
著者Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A.
登録日2018-02-19
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and conformational stability of the triosephosphate isomerase from Zea mays. Comparison with the chemical unfolding pathways of other eukaryotic TIMs.
Arch. Biochem. Biophys., 658, 2018
5AK2
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Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators.
分子名称: (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR
著者Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.
J.Med.Chem., 58, 2015
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
3W12
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Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alpha-CT peptide(704-719) and FAB 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J, Brzozowsk, A.M.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.301 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
4E2R
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BU of 4e2r by Molmil
Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
分子名称: BARIUM ION, DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3')
著者Mandal, P.K, Venkadesh, S, Gautham, N.
登録日2012-03-09
公開日2013-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
To be Published
4E2V
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tRNA-guanine transglycosylase Y106F, C158V mutant in complex with preQ1
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Schmidt, I, Reuter, K, Klebe, G, Heine, A, Tidten, N.
登録日2012-03-09
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013

223532

件を2024-08-07に公開中

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