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6CF7
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Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
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, Hemagglutinin, ...
著者Kadam, R.U, Wilson, I.A.
登録日2018-02-13
公開日2019-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
3O13
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Crystal structure of a superantigen-like protein (SAV0433) from Staphylococcus aureus MU50 at 2.05 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Superantigen-like protein
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-20
公開日2010-08-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a superantigen-like protein (SAV0433) from Staphylococcus aureus MU50 at 2.05 A resolution
To be published
2Y6U
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Peroxisomal alpha-beta-hydrolase Lpx1 (Yor084w) from Saccharomyces cerevisiae (crystal form II)
分子名称: GLYCEROL, PEROXISOMAL MEMBRANE PROTEIN LPX1
著者Thoms, S, Niemann, H.H.
登録日2011-01-26
公開日2011-07-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Unusual Extended C-Terminal Helix of the Peroxisomal Alpha-Beta-Hydrolase Lpx1 is Involved in Dimer Contacts But Dispensable for Dimerization
J.Struct.Biol., 175, 2011
1U77
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Crystal Structure of Ammonia Channel AmtB from E. Coli
分子名称: Probable ammonium transporter
著者Khademi, S, O'Connell III, J, Remis, J, Robles-Colmenares, Y, Miercke, L.J.W, Stroud, R.M.
登録日2004-08-02
公開日2004-09-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of ammonia transport by Amt/MEP/Rh: structure of AmtB at 1.35 A
Science, 305, 2004
5OVF
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BU of 5ovf by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6IIK
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BU of 6iik by Molmil
USP14 catalytic domain with IU1
分子名称: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, He, W, Wang, F.
登録日2018-10-06
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
1U8A
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BU of 1u8a by Molmil
Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Dhaliwal, B, Nichols, C.E, Ren, J, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-05
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase.
Febs Lett., 574, 2004
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
9QFI
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BU of 9qfi by Molmil
Crystal structure of YTHDF2 in complex with compound 6 (AI-DF2-47)
分子名称: 3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, GLYCEROL, ...
著者Nai, F, Invernizzi, A, Caflisch, A.
登録日2025-03-11
公開日2025-12-03
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of YTHDF2 Ligands by Fragment-Based Design.
Acs Bio Med Chem Au, 5, 2025
1UAE
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BU of 1uae by Molmil
STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE
分子名称: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
著者Skarzynski, T.
登録日1996-09-30
公開日1997-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of UDP-N-acetylglucosamine enolpyruvyl transferase, an enzyme essential for the synthesis of bacterial peptidoglycan, complexed with substrate UDP-N-acetylglucosamine and the drug fosfomycin.
Structure, 4, 1996
1PX7
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BU of 1px7 by Molmil
A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to glutamate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLUTATHIONE, ...
著者Kong, G.K.-W, Polekhina, G, McKinstry, W.J, Parker, M.W, Dragani, B, Aceto, A, Paludi, D, Principe, D.R, Mannervik, B, Stenberg, G.
登録日2003-07-02
公開日2003-07-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1
To be Published
4M2T
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BU of 4m2t by Molmil
Corrected Structure of Mouse P-glycoprotein bound to QZ59-SSS
分子名称: (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1A
著者Li, J, Jaimes, K.F, Aller, S.G.
登録日2013-08-05
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.35 Å)
主引用文献Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014
1I14
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BU of 1i14 by Molmil
ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMIC ACID MUTANT
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
著者Canyuk, B, Focia, P.J, Eakin, A.E.
登録日2001-01-30
公開日2002-05-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
1Q4K
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BU of 1q4k by Molmil
The polo-box domain of Plk1 in complex with a phospho-peptide
分子名称: Phospho-peptide sequence Met.Gln.Ser.pThr.Pro.Leu, Serine/threonine-protein kinase PLK
著者Cheng, K, Lowe, E.D, Sinclair, J, Nigg, E.A, Johnson, L.N.
登録日2003-08-04
公開日2003-11-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of the human polo-like kinase-1 polo box domain and its phospho-peptide complex.
Embo J., 22, 2003
3OOB
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BU of 3oob by Molmil
Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate
分子名称: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z.
登録日2010-08-30
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1.
Cancer Prev Res (Phila), 4, 2011
3OVR
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BU of 3ovr by Molmil
Crystal Structure of hRPE and D-Xylulose 5-Phosphate Complex
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 5-O-phosphono-D-xylulose, FE (II) ION, ...
著者Liang, W.G, Ouyang, S.Y, Shaw, N, Joachimiak, A, Zhang, R.G, Liu, Z.J.
登録日2010-09-17
公開日2011-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Conversion of D-ribulose 5-phosphate to D-xylulose 5-phosphate: new insights from structural and biochemical studies on human RPE
Faseb J., 25, 2011
5SAA
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BU of 5saa by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z319891284
分子名称: 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole, CITRIC ACID, Uridylate-specific endoribonuclease
著者Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
登録日2021-05-19
公開日2021-06-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.239 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
著者Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
登録日2013-08-19
公開日2013-09-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
1PIN
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BU of 1pin by Molmil
PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ...
著者Noel, J.P, Ranganathan, R, Hunter, T.
登録日1998-06-21
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent.
Cell(Cambridge,Mass.), 89, 1997
1UHJ
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Crystal structure of br-aequorin
分子名称: (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2
著者Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O.
登録日2003-07-03
公開日2005-02-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of semi-synthetic aequorins
Protein Sci., 14, 2005
2YBV
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STRUCTURE OF RUBISCO FROM THERMOSYNECHOCOCCUS ELONGATUS
分子名称: CHLORIDE ION, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN, RIBULOSE BISPHOSPHATE CARBOXYLASE SMALL SUBUNIT
著者Terlecka, B, Wilhelmi, V, Bialek, W, Gubernator, B, Szczepaniak, A, Hofmann, E.
登録日2011-03-10
公開日2012-03-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase from Thermosynechococcus Elongatus
To be Published
3P6B
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The crystal structure of CelK CBM4 from Clostridium thermocellum
分子名称: ACETATE ION, CALCIUM ION, Cellulose 1,4-beta-cellobiosidase, ...
著者Alahuhta, P.M, Luo, Y, Lunin, V.V.
登録日2010-10-11
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of CBM4 from Clostridium thermocellum cellulase K.
Acta Crystallogr.,Sect.F, 67, 2011
4EJ4
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Structure of the delta opioid receptor bound to naltrindole
分子名称: (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, Delta-type opioid receptor, Lysozyme chimera
著者Granier, S, Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Weis, W.I, Kobilka, B.K.
登録日2012-04-06
公開日2012-05-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of the delta opioid receptor bound to naltrindole
Nature, 485, 2012
7CBA
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Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ...
著者Lin, I.J, Lin, C.C, Wu, W.G.
登録日2020-06-11
公開日2021-07-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
To Be Published
3KOU
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Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex.
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, CD38 molecule, ...
著者Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N.J, Kellenberger, E, Schuber, F.
登録日2009-11-13
公開日2010-10-27
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Plos One, 7, 2012

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