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4U94
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Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway
分子名称: MAGNESIUM ION, Maltokinase
著者Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S.
登録日2014-08-05
公開日2015-02-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.473 Å)
主引用文献Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
4U9C
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BU of 4u9c by Molmil
STRUCTURE OF THE LBPB N-LOBE FROM NEISSERIA MENINGITIDIS
分子名称: Lactoferrin-binding protein B
著者Brooks, C.L, Arutyunova, E, Lemieux, M.J.
登録日2014-08-05
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献The structure of lactoferrin-binding protein B from Neisseria meningitidis suggests roles in iron acquisition and neutralization of host defences.
Acta Crystallogr.,Sect.F, 70, 2014
4U9Z
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BU of 4u9z by Molmil
Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA
分子名称: Alpha-tubulin N-acetyltransferase 1, COENZYME A
著者Yuzawa, S, Sumimoto, H.
登録日2014-08-07
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structure of alpha-TAT1/Mec-17 in complex with CoA
To Be Published
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UEI
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BU of 4uei by Molmil
Solution structure of the sterol carrier protein domain 2 of Helicoverpa armigera
分子名称: STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE
著者Liu, X, Ma, H, Yan, X, Hong, H, Peng, J, Peng, R.
登録日2014-12-18
公開日2015-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm.
Sci.Rep., 5, 2015
4UF9
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BU of 4uf9 by Molmil
Electron cryo-microscopy structure of PB1-p62 type T filaments
分子名称: SEQUESTOSOME-1
著者Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C.
登録日2015-03-15
公開日2015-05-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (10.3 Å)
主引用文献The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
4TXP
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BU of 4txp by Molmil
Crystal structure of LIP5 N-terminal domain
分子名称: Vacuolar protein sorting-associated protein VTA1 homolog
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (4-hydroxyphenyl)acetonitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-07
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYG
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BU of 4tyg by Molmil
Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase
分子名称: ACETATE ION, Fibroblast growth factor receptor 4
著者Lesca, E, Lammens, A, Huber, R, Augustin, M.
登録日2014-07-08
公開日2014-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
4TYQ
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BU of 4tyq by Molmil
Crystal structure of an adenylate kinase mutant--AKm2
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ...
著者Moon, S, Bae, E.
登録日2014-07-09
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis
J KOREAN SOC APPL BIOL CHEM, 57, 2014
4U67
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BU of 4u67 by Molmil
Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22
分子名称: 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
登録日2014-07-28
公開日2015-08-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
4U9Y
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BU of 4u9y by Molmil
Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA
分子名称: Alpha-tubulin N-acetyltransferase 1, BROMIDE ION, COENZYME A
著者Yuzawa, S, Sumimoto, H.
登録日2014-08-07
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA
To Be Published
4UA6
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BU of 4ua6 by Molmil
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UFU
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BU of 4ufu by Molmil
Crystal structure of human tankyrase 2 in complex with TA-12
分子名称: 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-19
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4TVA
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BU of 4tva by Molmil
Universal Pathway for Post-Transfer Editing Reactions: Insight from Crystal structure of TthPheRS with Puromycine
分子名称: PHENYLALANINE, PUROMYCIN, Phenylalanine--tRNA ligase alpha subunit, ...
著者Safro, M, Klipcan, L, Tworowski, D, Peretz, M.
登録日2014-06-26
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Universal pathway for posttransfer editing reactions: Insights from the crystal structure of TtPheRS with puromycin.
Proc.Natl.Acad.Sci.USA, 112, 2015
4U86
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BU of 4u86 by Molmil
Human Pin1 with cysteine sulfonic acid 113
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Li, W, Zhang, Y.
登録日2014-08-01
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
4U8G
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BU of 4u8g by Molmil
Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae
分子名称: Putative uncharacterized protein gbs1891
著者Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
登録日2014-08-03
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE.
J.Biol.Chem., 290, 2015
4U8Z
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BU of 4u8z by Molmil
Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475)
分子名称: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24
著者Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
登録日2014-08-05
公開日2015-03-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
4TX6
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AfChiA1 in complex with compound 1
分子名称: 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION
著者van Aalten, D.M.F.
登録日2014-07-02
公開日2014-08-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
4TY8
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An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 6-methyl-2H-chromen-2-one, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4UB7
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BU of 4ub7 by Molmil
High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond
分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha
著者Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
登録日2014-08-12
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
4UBK
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KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.40 MGy at 100K
分子名称: DIETHYL HYDROGEN PHOSPHATE, E3
著者Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
登録日2014-08-13
公開日2015-08-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4TYT
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Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ...
著者Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J.
登録日2014-07-09
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4U2C
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Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015

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