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6HIB
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BU of 6hib by Molmil
The ATAD2 bromodomain in complex with compound 14
分子名称: 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
3IED
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BU of 3ied by Molmil
Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN
分子名称: AMP PHOSPHORAMIDATE, Heat shock protein
著者Pizarro, J.C, Wernimont, A.K, Lew, J, Hutchinson, A, Artz, J.D, Amaya, M.F, Plotnikova, O, Vedadi, M, Kozieradzki, I, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2009-07-22
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN
TO BE PUBLISHED
5F4Q
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BU of 5f4q by Molmil
Crystal structure of the human egg surface protein Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5LXD
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BU of 5lxd by Molmil
Crystal structure of DYRK2 in complex with EHT 1610 (compound 2)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
6HO8
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BU of 6ho8 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44815
分子名称: HTH-type transcriptional regulator EthR, ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
3O4Y
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BU of 3o4y by Molmil
Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610
分子名称: CALCIUM ION, Calcium-dependent protein kinase 3, GLYCEROL, ...
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2010-07-27
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610
TO BE PUBLISHED
3IG2
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BU of 3ig2 by Molmil
The Crystal Structure of a Putative Phenylalanyl-tRNA synthetase (PheRS) beta chain domain from Bacteroides fragilis to 2.1A
分子名称: MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain
著者Stein, A.J, Sather, A, Hendricks, R, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-27
公開日2009-09-01
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Crystal Structure of a Putative Phenylalanyl-tRNA synthetase (PheRS) beta chain domain from Bacteroides fragilis to 2.1A
To be Published
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fiorentini, F, Mattevi, A.
登録日2018-09-25
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
3IGR
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BU of 3igr by Molmil
The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A
分子名称: GLYCEROL, Ribosomal-protein-S5-alanine N-acetyltransferase, SODIUM ION
著者Stein, A.J, Sather, A, Shackelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-28
公開日2009-09-01
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A
To be Published
3IH5
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BU of 3ih5 by Molmil
Crystal Structure of Electron Transfer Flavoprotein alpha-subunit from Bacteroides thetaiotaomicron
分子名称: Electron transfer flavoprotein alpha-subunit, FORMIC ACID, MALONIC ACID, ...
著者Kim, Y, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-29
公開日2009-09-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Electron Transfer Flavoprotein alpha-subunit from Bacteroides thetaiotaomicron
To be Published
6HQD
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BU of 6hqd by Molmil
Cytochrome P450-153 from Pseudomonas sp. 19-rlim
分子名称: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fiorentini, F, Mattevi, A.
登録日2018-09-24
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQW
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BU of 6hqw by Molmil
Cytochrome P450-153 from Novosphingobium aromaticivorans
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fiorentini, F, Mattevi, A.
登録日2018-09-25
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
6HO4
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BU of 6ho4 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693
分子名称: 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
3O1Y
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BU of 3o1y by Molmil
Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface
分子名称: Cytochrome c, HEME C, NITRATE ION
著者De March, M, De Zorzi, R, Demitri, N, Gabbiani, C, Guerri, A, Casini, A, Messori, L, Geremia, S.
登録日2010-07-22
公開日2012-01-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
1YN9
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BU of 1yn9 by Molmil
Crystal structure of baculovirus RNA 5'-phosphatase complexed with phosphate
分子名称: PHOSPHATE ION, polynucleotide 5'-phosphatase
著者Changela, A, Martins, A, Shuman, S, Mondragon, A.
登録日2005-01-24
公開日2005-02-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of baculovirus RNA triphosphatase complexed with phosphate
J.Biol.Chem., 280, 2005
5CNO
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BU of 5cno by Molmil
Crystal structure of the EGFR kinase domain mutant V924R
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kovacs, E, Das, R, Mirza, A, Jura, N, Barros, T, Kuriyan, J.
登録日2015-07-17
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Analysis of the Role of the C-Terminal Tail in the Regulation of the Epidermal Growth Factor Receptor.
Mol.Cell.Biol., 35, 2015
4MQS
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BU of 4mqs by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
分子名称: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8
著者Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
登録日2013-09-16
公開日2013-11-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
6EGR
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BU of 6egr by Molmil
Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement
分子名称: DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Revtovich, S.V, Demitri, N, Raboni, S, Nikulin, A.D, Morozova, E.A, Demidkina, T.V, Storici, P, Mozzarelli, A.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Engineering methionine gamma-lyase from Citrobacter freundii for anticancer activity.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
1FB1
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BU of 1fb1 by Molmil
CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I
分子名称: GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION
著者Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
登録日2000-07-14
公開日2000-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
2NAF
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BU of 2naf by Molmil
Solution structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis
分子名称: Peptidyl-tRNA hydrolase
著者Yadav, R, Pathak, P, Fatma, F, Kabra, A, Pulavarti, S, Jain, A, Kumar, A, Shukla, V, Arora, A.
登録日2015-12-23
公開日2017-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of peptidyl-tRNA hydrolase from Mycobacterium smegmatis by NMR spectroscopy.
Biochim.Biophys.Acta, 1864, 2016
5F4T
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BU of 5f4t by Molmil
Crystal structure of the human sperm Izumo1 residues 22-254
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.083 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F34
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BU of 5f34 by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group
分子名称: Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.281 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
1FFT
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BU of 1fft by Molmil
The structure of ubiquinol oxidase from Escherichia coli
分子名称: COPPER (II) ION, HEME O, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Abramson, J, Riistama, S, Larsson, G, Jasaitis, A, Svensson-Ek, M, Puustinen, A, Iwata, S, Wikstrom, M.
登録日2000-07-26
公開日2000-10-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of the ubiquinol oxidase from Escherichia coli and its ubiquinone binding site.
Nat.Struct.Biol., 7, 2000
3IC7
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BU of 3ic7 by Molmil
Crystal Structure of Putative Transcriptional Regulator of GntR Family from Bacteroides thetaiotaomicron
分子名称: Putative transcriptional regulator
著者Kim, Y, Sather, A, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-17
公開日2009-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.819 Å)
主引用文献Crystal Structure of Putative Transcriptional Regulator of GntR Family from Bacteroides thetaiotaomicron
To be Published

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