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4TVF
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OxyB from Actinoplanes teichomyceticus
分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE
著者Haslinger, K, Cryle, M.J.
登録日2014-06-26
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
4TVV
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BU of 4tvv by Molmil
Crystal structure of LppA from Legionella pneumophila
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Weber, S, Stirnimann, C, Wieser, M, Meier, R, Engelhardt, S, Li, X, Capitani, G, Kammerer, R, Hilbi, H.
登録日2014-06-28
公開日2014-11-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Type IV Translocated Legionella Cysteine Phytase Counteracts Intracellular Growth Restriction by Phytate.
J.Biol.Chem., 289, 2014
4U86
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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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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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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2023-09-27
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
6D7W
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BU of 6d7w by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution
分子名称: CALCIUM ION, Mitochondrial calcium uniporter
著者Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
登録日2018-04-25
公開日2018-07-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
6D8A
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BU of 6d8a by Molmil
RsAgo Ternary Complex with guide RNA and Target DNA Containing A-A Bulge Within the Seed Segment of the Target Strand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*TP*AP*AP*C)-3'), ...
著者Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
登録日2018-04-26
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
4UAN
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BU of 4uan by Molmil
Structure of the Ssl1 laccase mutant H99Q with depleted type-2 copper ion
分子名称: COPPER (II) ION, Copper oxidase, GLYCEROL
著者Gunne, M, Hoeppner, A, Jaeger, V.D, Urlacher, V.B.
登録日2014-08-11
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Ssl1 laccase mutant H99Q with depleted type-2 copper ion
To Be Published
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
4TYL
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BU of 4tyl by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-08
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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2023-11-08
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
4TYP
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BU of 4typ by Molmil
Crystal structure of an adenylate kinase mutant--AKm1
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC 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 (2.9 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
4TZN
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BU of 4tzn by Molmil
Structure of HTP-2 bound to HTP-3 motif-6
分子名称: Protein HTP-2, Protein HTP-3
著者Rosenberg, S.C, Corbett, K.D.
登録日2014-07-10
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.115 Å)
主引用文献The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4U3A
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BU of 4u3a by Molmil
Crystal structure of CtCel5E
分子名称: Endoglucanase H
著者Yuan, S.F, Liang, P.H, Ho, M.C.
登録日2014-07-19
公開日2015-01-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
4U01
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BU of 4u01 by Molmil
HCV NS3/4A serine protease in complex with 6570
分子名称: (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ...
著者Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D.
登録日2014-07-11
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
4U0Q
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BU of 4u0q by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin
分子名称: Basigin, Reticulocyte binding protein 5
著者Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K.
登録日2014-07-14
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
4U1B
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BU of 4u1b by Molmil
HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-15
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U97
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Crystal Structure of Asymmetric IRAK4 Dimer
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
著者Ferrao, R, Wu, H.
登録日2014-08-05
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4U9K
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Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II)NO ligation state, Q154A/Q155A/K156A mutant
分子名称: MANGANESE PROTOPORPHYRIN IX, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ...
著者Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
登録日2014-08-06
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U6J
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HsMetAP in complex with methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-29
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6S
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CtBP1 in complex with substrate phenylpyruvate
分子名称: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
著者Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
登録日2014-07-29
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4UAL
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MRCK beta in complex with BDP00005290
分子名称: 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
著者Schuettelkopf, A.W.
登録日2014-08-10
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
4U77
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BTB domain from Drosophila CP190
分子名称: Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL
著者Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M.
登録日2014-07-30
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014
4UBJ
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KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.55 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2023-11-08
実験手法X-RAY DIFFRACTION (2.3 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
4U7N
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Inactive structure of histidine kinase
分子名称: Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017

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