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4O32
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BU of 4o32 by Molmil
Structure of a malarial protein
分子名称: CHLORIDE ION, Thioredoxin
著者Egea, P.F, Koehl, A, Peng, M, Cascio, D.
登録日2013-12-17
公開日2014-12-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Crystal structure and solution characterization of the thioredoxin-2 from Plasmodium falciparum, a constituent of an essential parasitic protein export complex.
Biochem.Biophys.Res.Commun., 456, 2015
4A9Y
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BU of 4a9y by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 8
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-29
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4NYU
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BU of 4nyu by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in C 2 2 21
分子名称: ACETATE ION, CALCIUM ION, Deacetylase DA1, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
5OKN
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BU of 5okn by Molmil
Crystal structure of human SHIP2 Phosphatase-C2 D607A mutant
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Le Coq, J, Lietha, D.
登録日2017-07-25
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
7ZKT
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BU of 7zkt by Molmil
Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine
分子名称: 1,2-ETHANEDIOL, COENZYME A, LYSINE, ...
著者Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P.
登録日2022-04-13
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
5G1M
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BU of 5g1m by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa
分子名称: ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ...
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-03-28
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
7N1O
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BU of 7n1o by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone
分子名称: CHLORIDE ION, MAGNESIUM ION, Transcription factor ETV6,Isoform 4 of Anthrax toxin receptor 2
著者Mathis, M.H, Bezzant, B.D, Ramirez, D.T, Sarath Nawarathnage, S.D, Doukov, T, Moody, J.D.
登録日2021-05-27
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
2YED
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BU of 2yed by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: ADENINE, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
4AN3
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BU of 4an3 by Molmil
Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ...
著者Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S.
登録日2012-03-15
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
1GN0
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BU of 1gn0 by Molmil
Escherichia coli GlpE sulfurtransferase soaked with KCN
分子名称: 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE
著者Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
登録日2001-10-01
公開日2001-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
6H82
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BU of 6h82 by Molmil
Cryo-EM structure of the archaeal extremophilic internal membrane containing Haloarcula hispanica icosahedral virus 2 (HHIV-2) at 3.78 Angstroms resolution.
分子名称: GPS III, Uncharacterized protein, VP16 (vertex complex), ...
著者Abrescia, N.G, Santos-Perez, I, Charro, D.
登録日2018-08-01
公開日2019-04-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural basis for assembly of vertical single beta-barrel viruses.
Nat Commun, 10, 2019
4AAA
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BU of 4aaa by Molmil
Crystal structure of the human CDKL2 kinase domain
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CYCLIN-DEPENDENT KINASE-LIKE 2
著者Canning, P, Vollmar, M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2011-11-30
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
5V8X
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BU of 5v8x by Molmil
Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schormann, N, Ulett, G.C, Chattopadhyay, D.
登録日2017-03-22
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
To Be Published
2Y6W
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BU of 2y6w by Molmil
Structure of a Bcl-w dimer
分子名称: BCL-2-LIKE PROTEIN 2, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
著者Lee, E.F, Evangelista, M, Pettikiriarachchi, A, Dogovski, C, Perugini, M.A, Colman, P.M, Fairlie, W.D.
登録日2011-01-27
公開日2011-10-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a Bcl-W Domain-Swapped Dimer: Implications for the Function of Bcl-2 Family Proteins.
Structure, 19, 2011
2GGR
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BU of 2ggr by Molmil
Solution structure of the C-terminal SH3 domain of c-CrkII
分子名称: Proto-oncogene C-crk
著者Muralidharan, V, Dutta, K, Muir, T.W, Cowburn, D.
登録日2006-03-24
公開日2006-08-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure and Folding Characteristics of the C-Terminal SH3 Domain of c-Crk-II
Biochemistry, 45, 2006
5FR7
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BU of 5fr7 by Molmil
Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family
分子名称: AMYR
著者Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S.
登録日2015-12-16
公開日2017-01-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
5UMQ
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BU of 5umq by Molmil
Crystal structure of TnmS1, an antibiotic binding protein from Streptomyces sp. CB03234
分子名称: Glyoxalase/bleomycin resisance protein/dioxygenase
著者Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
登録日2017-01-29
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
4P1O
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BU of 4p1o by Molmil
Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to ATP-Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
登録日2014-02-27
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
1GMX
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BU of 1gmx by Molmil
Escherichia coli GlpE sulfurtransferase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, THIOSULFATE SULFURTRANSFERASE GLPE
著者Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
登録日2001-09-25
公開日2001-11-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
5UMX
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BU of 5umx by Molmil
Crystal structure of TnmS3 in complex with riboflavin
分子名称: Glyoxalase/bleomycin resisance protein/dioxygenase, RIBOFLAVIN
著者Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
登録日2017-01-29
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
8FUX
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BU of 8fux by Molmil
KpsC D160C ternary complex
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, ...
著者Kimber, M.S, Doyle, L, Whitfield, C.
登録日2023-01-18
公開日2023-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mechanism and linkage specificities of the dual retaining beta-Kdo glycosyltransferase modules of KpsC from bacterial capsule biosynthesis.
J.Biol.Chem., 299, 2023
3CXO
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BU of 3cxo by Molmil
Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and 3-deoxy-L-rhamnonate
分子名称: (2R,4S)-2,4,7-trihydroxyheptanoic acid, 3,6-dideoxy-L-arabino-hexonic acid, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Hubbard, B.K, Gerlt, J.A, Almo, S.C.
登録日2008-04-24
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
4GL1
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BU of 4gl1 by Molmil
Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant
分子名称: Carbonic anhydrase 2, ZINC ION
著者West, D.M.
登録日2012-08-13
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases
To be Published
2YE2
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BU of 2ye2 by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
4GLL
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BU of 4gll by Molmil
Crystal structure of human UDP-xylose synthase.
分子名称: GUANIDINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Wood, Z.A, Polizzi, S.J.
登録日2012-08-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human UDP-alpha-d-xylose Synthase and Escherichia coli ArnA Conserve a Conformational Shunt That Controls Whether Xylose or 4-Keto-Xylose Is Produced.
Biochemistry, 51, 2012

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