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3MFB
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Crystal Structure of the S-type Pyocin domain of ECA1669 protein from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR82C
分子名称: Uncharacterized protein
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-04-01
公開日2010-04-14
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Northeast Structural Genomics Consortium Target EwR82C
To be Published
4IDT
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BU of 4idt by Molmil
Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4IIY
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BU of 4iiy by Molmil
Structure of MccF in complex with glutamyl sulfamoyl inosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(L-alpha-glutamylsulfamoyl)inosine, MccF
著者Agarwal, V, Nair, S.K.
登録日2012-12-20
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of MccF with substrate analogs
To be Published
4IDF
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BU of 4idf by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HMF
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-5-methylfuran-3(2H)-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
3PE1
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BU of 3pe1 by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2010-10-25
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
4IKB
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BU of 4ikb by Molmil
Crystal structure of SNX11 PX domain
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, SODIUM ION, ...
著者Xu, J, Xu, T, Liu, J.
登録日2012-12-26
公開日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation
to be published
4IKX
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BU of 4ikx by Molmil
Crystal structure of peptide transporter POT (E310Q mutant)
分子名称: Di-tripeptide ABC transporter (Permease), OLEIC ACID, SULFATE ION
著者Doki, S, Kato, H.E, Ishitani, R, Nureki, O.
登録日2012-12-28
公開日2013-07-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IIL
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BU of 4iil by Molmil
Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin
分子名称: 1,2-ETHANEDIOL, Membrane lipoprotein TpN38(b), POTASSIUM ION, ...
著者Brautigam, C.A, Deka, R.K, Norgard, M.V.
登録日2012-12-20
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evidence for an ABC-type riboflavin transporter system in pathogenic spirochetes.
MBio, 4, 2013
4II4
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BU of 4ii4 by Molmil
The Phenylacetyl-CoA monooxygenase - mutant PaaA E49Q K68Q - PaaC wild type subcomplex with benzoyl-CoA
分子名称: 1,2-phenylacetyl-CoA epoxidase, subunit A, subunit C, ...
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2012-12-19
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Spatial Organization of Subunits within the Phenylacetyl-CoA Monooxygenase Complex
To be published
4IIO
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BU of 4iio by Molmil
Crystal Structure of the Second SH3 Domain of ITSN2 Bound with a Synthetic Peptide
分子名称: CHLORIDE ION, Intersectin-2, SULFATE ION, ...
著者Dong, A, Guan, X, Huang, H, Gu, J, Tempel, W, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-12-20
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Second SH3 Domain of ITSN2 Bound with a Synthetic Peptide
TO BE PUBLISHED
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
3PE2
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BU of 3pe2 by Molmil
Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011
分子名称: 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2010-10-25
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
1XJU
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BU of 1xju by Molmil
Crystal structure of secreted inactive form of P1 phage endolysin Lyz
分子名称: Lysozyme, SULFATE ION
著者Arockiasamy, A, Sacchettini, J.C.
登録日2004-09-24
公開日2005-01-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
4INW
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BU of 4inw by Molmil
Structure of Pheromone-binding protein 1 in complex with (11Z,13Z)-hexadecadienal
分子名称: (11Z,13Z)-hexadeca-11,13-dienal, Pheromone-binding protein 1
著者di Luccio, E, Wilson, D.K.
登録日2013-01-07
公開日2013-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
4IMG
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BU of 4img by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, N-acetylneuraminate lyase
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IBO
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BU of 4ibo by Molmil
Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446)
分子名称: CHLORIDE ION, Gluconate dehydrogenase, MAGNESIUM ION
著者Vetting, M.W, Bouvier, J.T, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-12-09
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446)
To be Published
4IDC
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BU of 4idc by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HDMF
分子名称: (2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4IFR
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BU of 4ifr by Molmil
2.40 Angstroms X-ray crystal structure of R239A 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase from Pseudomonas fluorescens
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, ZINC ION
著者Huo, L, Davis, I, Chen, L, Liu, A.
登録日2012-12-14
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
1XQ1
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X-RAY STRUCTURE OF PUTATIVE TROPINONE REDUCATSE FROM ARABIDOPSIS THALIANA GENE AT1G07440
分子名称: PUTATIVE TROPINONE REDUCATSE
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-10-11
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-RAY STRUCTURE OF PUTATIVE TROPINONE REDUCATSE FROM ARABIDOPSIS THALIANA GENE AT1G07440
To be published
6CRX
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BU of 6crx by Molmil
SARS Spike Glycoprotein, Stabilized variant, two S1 CTDs in the upwards conformation
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, Spike glycoprotein,Fibritin, ...
著者Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
登録日2018-03-19
公開日2018-04-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2012-12-18
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IFK
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BU of 4ifk by Molmil
Arginines 51 and 239* from a Neighboring Subunit are Essential for Catalysis in a Zinc-dependent Decarboxylase
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
著者Huo, L, Davis, I, Chen, L, Liu, A.
登録日2012-12-14
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
4IH1
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Crystal structure of Karrikin Insensitive 2 (KAI2) from Arabidopsis thaliana
分子名称: Hydrolase, alpha/beta fold family protein
著者Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
登録日2012-12-18
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
5PF5
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BU of 5pf5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 134)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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