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2XDP
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BU of 2xdp by Molmil
Crystal structure of the tudor domain of human JMJD2C
分子名称: LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION
著者Yue, W.W, Gileadi, C, Krojer, T, Weisbach, H, Ugochukwu, E, Daniel, M, Phillips, C, Chaikuad, A, von Delft, F, Allerston, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-05-06
公開日2010-06-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of the Tudor Domain of Human Jmjd2C
To be Published
2Q1Q
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BU of 2q1q by Molmil
Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, SULTHIAME, ...
著者Temperini, C, Innocenti, A, Mastrolorenzo, A, Scozzafava, A, Supuran, C.T.
登録日2007-05-25
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
3MBT
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BU of 3mbt by Molmil
Structure of monomeric Blc from E. coli
分子名称: Outer membrane lipoprotein blc
著者Schiefner, A, Skerra, A.
登録日2010-03-26
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical analyses reveal a monomeric state of the bacterial lipocalin Blc.
Acta Crystallogr.,Sect.D, 66, 2010
2XFP
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BU of 2xfp by Molmil
Isatin-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline
分子名称: 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
登録日2010-05-26
公開日2010-10-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
3MEA
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BU of 3mea by Molmil
Crystal structure of the SGF29 in complex with H3K4me3
分子名称: Histone H3, SAGA-associated factor 29 homolog
著者Bian, C, Xu, C, Tempel, W, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
2XFS
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BU of 2xfs by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-26
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
3MHJ
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BU of 3mhj by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one
分子名称: 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ...
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-04-08
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3MFN
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BU of 3mfn by Molmil
Dfer_2879 protein of unknown function from Dyadobacter fermentans
分子名称: ACETATE ION, Uncharacterized protein
著者Osipiuk, J, Xu, X, Cui, H, Chin, S, Eisen, J, Wu, D, Kerfeld, C, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-04-02
公開日2010-04-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献X-ray crystal structure of Dfer_2879 protein of unknown function from Dyadobacter fermentans.
To be Published
4OVB
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BU of 4ovb by Molmil
Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor, Gold (I) Cyanide derivative
分子名称: GLYCEROL, GOLD (I) CYANIDE ION, PHOSPHATE ION, ...
著者Maindola, P, Goyal, P, Arulandu, A.
登録日2014-02-21
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
2XCG
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BU of 2xcg by Molmil
Tranylcypromine-inhibited human monoamine oxidase B in complex with 2- (2-benzofuranyl)-2-imidazoline
分子名称: 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, ...
著者Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
登録日2010-04-23
公開日2010-10-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
5LFG
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BU of 5lfg by Molmil
X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO).
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ...
著者Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A.
登録日2016-07-01
公開日2017-08-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
5LFN
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BU of 5lfn by Molmil
Crystal structure of human chondroadherin
分子名称: CHLORIDE ION, Chondroadherin
著者Ramisch, S, Pramhed, A, Logan, D.T.
登録日2016-07-03
公開日2016-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human chondroadherin: solving a difficult molecular-replacement problem using de novo models.
Acta Crystallogr D Struct Biol, 73, 2017
2XVG
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BU of 2xvg by Molmil
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus
分子名称: 1,2-ETHANEDIOL, ALPHA XYLOSIDASE, CHLORIDE ION, ...
著者Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
登録日2010-10-26
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
4OQO
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BU of 4oqo by Molmil
Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom resolution
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, Lactotransferrin
著者Singh, A, Rastogi, N, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-02-10
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of the iron-free true C-terminal half of bovine lactoferrin produced by tryptic digestion and its functional significance in the gut.
Febs J., 281, 2014
5A7P
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BU of 5a7p by Molmil
Crystal structure of human JMJD2A in complex with compound 36
分子名称: 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
登録日2015-07-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5KJM
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BU of 5kjm by Molmil
SMYD2 in complex with AZ931
分子名称: 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
2XQH
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BU of 2xqh by Molmil
Crystal structure of an immunoglobulin-binding fragment of the trimeric autotransporter adhesin EibD
分子名称: CHLORIDE ION, IMMUNOGLOBULIN-BINDING PROTEIN EIBD
著者Leo, J.C, Lyskowski, A, Hartmann, M, Schwarz, H, Linke, D, Lupas, A.N, Goldman, A.
登録日2010-09-02
公開日2011-07-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Structure of E. Coli Igg-Binding Protein D Suggests a General Model for Bending and Binding in Trimeric Autotransporter Adhesins.
Structure, 19, 2011
5NM8
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BU of 5nm8 by Molmil
Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942, with PLP bound
分子名称: CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, PipY
著者Tremino, L, Forcada-Nadal, A, Contreras, A, Rubio, V.
登録日2017-04-05
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Studies on cyanobacterial protein PipY shed light on structure, potential functions, and vitamin B6 -dependent epilepsy.
FEBS Lett., 591, 2017
3AJL
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BU of 3ajl by Molmil
Crystal structure of d(CGCGGATf5UCGCG): 5-Formyluridine:guanosine Base-pair in B-DNA with DAPI
分子名称: 5'-D(*CP*GP*CP*GP*GP*AP*TP*(UFR)P*CP*GP*CP*G)-3', 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, MAGNESIUM ION
著者Tsunoda, M, Sakaue, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2010-06-07
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the structures of DNA damaged by hydroxyl radical: crystal structures of DNA duplexes containing 5-formyluracil
J Nucleic Acids, 2010, 2010
2XH8
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BU of 2xh8 by Molmil
X-ray structure of 119-141 ZnuA deletion mutant from Salmonella enterica.
分子名称: SODIUM ION, SULFATE ION, ZINC ABC TRANSPORTER, ...
著者Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E.
登録日2010-06-09
公開日2011-04-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines.
J.Mol.Biol., 409, 2011
2V5X
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BU of 2v5x by Molmil
Crystal structure of HDAC8-inhibitor complex
分子名称: (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
著者Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C.
登録日2007-07-10
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
5AAA
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BU of 5aaa by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5NPW
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BU of 5npw by Molmil
Structure of human ATG5-ATG16L1(ATG5BD) complex (C2)
分子名称: Autophagy protein 5, Autophagy-related protein 16-1
著者Archna, A, Scrima, A.
登録日2017-04-19
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification, biochemical characterization and crystallization of the central region of human ATG16L1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4OHZ
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BU of 4ohz by Molmil
bound to ssRNA tetranucleotide GAAA, ADP, and Mg2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NONAETHYLENE GLYCOL, ...
著者Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A.
登録日2014-01-18
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
2PD0
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BU of 2pd0 by Molmil
Protein cgd2_2020 from Cryptosporidium parvum
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein
著者Cymborowski, M, Chruszcz, M, Hills, T, Lew, J, Melone, M, Zhao, Y, Artz, J, Wernimont, A, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Arrowsmith, C, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
登録日2007-03-30
公開日2007-04-17
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein cgd2_2020 from Cryptosporidium parvum
To be Published

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