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6P9Q
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BU of 6p9q by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
7TZB
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BU of 7tzb by Molmil
Crystal structure of the human mitochondrial seryl-tRNA synthetase (mt SerRS) bound with a seryl-adenylate analogue
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Serine--tRNA ligase, mitochondrial
著者Kuhle, B, Hirschi, M, Doerfel, L, Lander, G, Schimmel, P.
登録日2022-02-15
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
7U2B
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BU of 7u2b by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA(GCU-TL)
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (53-MER), Serine--tRNA ligase, ...
著者Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
登録日2022-02-23
公開日2022-09-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
7U2A
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BU of 7u2a by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA (GCU)
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (38-MER), Serine--tRNA ligase, ...
著者Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
登録日2022-02-23
公開日2022-09-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
4LPH
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BU of 4lph by Molmil
Crystal structure of human FPPS in complex with CL03093
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
4PI0
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BU of 4pi0 by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell) soaked in copper
分子名称: COPPER (II) ION, Particulate methane monooxygenase subunit A, Particulate methane monooxygenase subunit B, ...
著者Sirajuddin, S, Rosenzweig, A.C.
登録日2014-05-07
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
4PHZ
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BU of 4phz by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, COPPER (II) ION, Particulate methane monooxygenase subunit A, ...
著者Sirajuddin, S, Rosenzweig, A.C.
登録日2014-05-07
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
4PI2
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BU of 4pi2 by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell) soaked in zinc
分子名称: CACODYLATE ION, COPPER (II) ION, Particulate methane monooxygenase subunit A, ...
著者Sirajuddin, S, Rosenzweig, A.C.
登録日2014-05-07
公開日2014-06-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
4RMA
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BU of 4rma by Molmil
Crystal structure of the FERM domain of human ezrin
分子名称: Ezrin, SULFATE ION
著者Phang, J.M, Harrop, S.J, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RM8
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BU of 4rm8 by Molmil
Crystal structure of human ezrin in space group P21
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-20
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RM9
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BU of 4rm9 by Molmil
Crystal structure of human ezrin in space group C2221
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
5T5F
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BU of 5t5f by Molmil
Neisseria meningitidis factor H binding protein in complex with monoclonal antibody JAR5
分子名称: Factor H binding protein variant B24, Monoclonal antibody Jar5 heavy chain, Monoclonal antibody Jar5 light chain
著者Malito, E.
登録日2016-08-30
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Neisseria meningitidis factor H-binding protein bound to monoclonal antibody JAR5: implications for antibody synergy.
Biochem. J., 473, 2016
8EPN
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BU of 8epn by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 in the 3-RBD Down conformation
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, Spike glycoprotein, ...
著者Williams, J.A, Harshbarger, W.
登録日2022-10-06
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
8EPQ
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BU of 8epq by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 with two RBDs exposed
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, Spike glycoprotein, ...
著者Williams, J.A, Harshbarger, W.
登録日2022-10-06
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
3ZZR
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BU of 3zzr by Molmil
Crystal structure of the CG11501 protein in P21212 spacegroup
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Coste, F, Roussel, A.
登録日2011-09-02
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Diedel, a Marker of the Immune Response of Drosophila Melanogaster.
Plos One, 7, 2012
4AE0
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BU of 4ae0 by Molmil
Crystal structure of diphtheria toxin mutant CRM197
分子名称: DIPHTHERIA TOXIN
著者Malito, E, Spraggon, G.
登録日2012-01-04
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AE1
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BU of 4ae1 by Molmil
Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide
分子名称: DIPHTHERIA TOXIN, NICOTINAMIDE
著者Malito, E, Spraggon, G.
登録日2012-01-04
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
Proc.Natl.Acad.Sci.USA, 109, 2012
8E90
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BU of 8e90 by Molmil
Inhibition of Human Menin by SNDX-5613
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ...
著者McKeever, B.M, KULKARNI, S, McGeehan, G.M.
登録日2022-08-26
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
8EPP
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BU of 8epp by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 with two RBDs in the open conformation
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, Spike glycoprotein, ...
著者Williams, J.A, Harshbarger, W.
登録日2022-10-06
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
3ZZO
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BU of 3zzo by Molmil
Crystal structure of the CG11501 protein in P212121 spacegroup
分子名称: 1,2-ETHANEDIOL, CG11501, THIOCYANATE ION
著者Coste, F, Roussel, A.
登録日2011-09-02
公開日2012-07-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structure of Diedel, a Marker of the Immune Response of Drosophila Melanogaster.
Plos One, 7, 2012
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-04-25
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-05-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
7ZDD
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BU of 7zdd by Molmil
Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K10ac histone peptide.
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM33, Histone H3.X, ...
著者Caria, S, Duclos, S, Crespillo, S, Errey, J, Barker, J.J.
登録日2022-03-29
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.625 Å)
主引用文献Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33 alpha and TRIM33 beta Bromodomains.
Acs Chem.Biol., 17, 2022
6FGY
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BU of 6fgy by Molmil
Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.-M, Bourgier, E.
登録日2018-01-11
公開日2018-06-06
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5TR6
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BU of 5tr6 by Molmil
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-10-25
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 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

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