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4AJF
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BU of 4ajf by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
3KLU
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BU of 3klu by Molmil
Crystal structure of the protein yqbn. northeast structural genomics consortium target sr445.
分子名称: MANGANESE (II) ION, Uncharacterized protein yqbN
著者Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, M, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-11-09
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the protein yqbn. northeast structural genomics consortium target sr445.
To be Published
4A4F
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BU of 4a4f by Molmil
Solution structure of SPF30 Tudor domain in complex with symmetrically dimethylated arginine
分子名称: N3, N4-DIMETHYLARGININE, SURVIVAL OF MOTOR NEURON-RELATED-SPLICING FACTOR 30
著者Tripsianes, K, Madl, T, Machyna, M, Fessas, D, Englbrecht, C, Fischer, U, Neugebauer, K.M, Sattler, M.
登録日2011-10-12
公開日2011-11-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Dimethyl-Arginine Recognition by the Tudor Domains of Human Smn and Spf30 Proteins
Nat.Struct.Mol.Biol., 18, 2011
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
分子名称: Dihydropteroate synthase, SULFATE ION
著者Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
登録日2011-12-16
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3KAW
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BU of 3kaw by Molmil
Crystal Structure of PA2107 PROTEIN from Pseudomonas aeruginosa, Northeast Structural Genomics Consortium Target PaR198
分子名称: SULFATE ION, uncharacterized protein PA2107
著者Forouhar, F, Neely, H, Seetharaman, J, Janjua, J, Xiao, R, Maglaqui, M, Wang, 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2009-10-19
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Northeast Structural Genomics Consortium Target PaR198
To be Published
6TSM
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BU of 6tsm by Molmil
Marasmius oreades agglutinin (MOA) in complex with the truncated PVVRAHS synthetic substrate
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6TSV
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BU of 6tsv by Molmil
Tail of empty GTA particle computed with helical refinement, C6 symmetry
分子名称: Tail tube protein Rcc01691
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-12-21
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
4NE1
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BU of 4ne1 by Molmil
Human MHF1 MHF2 DNA complexes
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.499 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
6TU6
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BU of 6tu6 by Molmil
Kemp Eliminase HG3.17 mutant Q50M, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 mutant Q50M, E47N, ...
著者Bloch, J.S, Hilvert, D.
登録日2020-01-02
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
3US9
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BU of 3us9 by Molmil
Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12)
分子名称: CALCIUM ION, Sodium/calcium exchanger 1
著者Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D.
登録日2011-11-23
公開日2012-07-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献A common Ca2+-driven interdomain module governs eukaryotic NCX regulation.
Plos One, 7, 2012
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
分子名称: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
3GA2
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BU of 3ga2 by Molmil
Crystal structure of the Endonuclease_V (BSU36170) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR624
分子名称: Endonuclease V
著者Forouhar, F, Abashidze, M, Hussain, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Owens, L, Wang, 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2009-02-16
公開日2009-02-24
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the Endonuclease_V (BSU36170) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR624
To be Published
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
登録日2019-12-16
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
3KF9
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BU of 3kf9 by Molmil
Crystal structure of the SdCen/skMLCK complex
分子名称: CALCIUM ION, Caltractin, Myosin light chain kinase 2, ...
著者Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T.
登録日2009-10-27
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural features of the complexes formed by Scherffelia dubia centrin
To be Published
1DKQ
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BU of 1dkq by Molmil
CRYSTAL STRUCTURE OF PHYTATE COMPLEX ESCHERICHIA COLI PHYTASE AT PH 5.0. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SITE. HG2+ CATION ACTS AS AN INTERMOLECULAR BRIDGE
分子名称: INOSITOL HEXAKISPHOSPHATE, MERCURY (II) ION, PHYTASE
著者Lim, D, Golovan, S, Forsberg, C.W, Jia, Z.
登録日1999-12-08
公開日2000-08-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of Escherichia coli phytase and its complex with phytate.
Nat.Struct.Biol., 7, 2000
3UQ7
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BU of 3uq7 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant L240S F247L (L9S F16L) in presence of 10 mM cysteamine
分子名称: Gamma-aminobutyric-acid receptor subunit beta-1
著者Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C.
登録日2011-11-19
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
2O4Y
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BU of 2o4y by Molmil
Solution structure of a DNA duplex containing the universal base 5-nitroindole-3-carboxamide
分子名称: DNA (5'-D(*CP*GP*TP*TP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*(NCX)P*AP*CP*G)-3')
著者Gallego, J, Loakes, D.
登録日2006-12-05
公開日2007-04-24
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of DNA duplexes containing the universal base analogues 5-nitroindole and 5-nitroindole 3-carboxamide.
Nucleic Acids Res., 35, 2007
1DKF
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BU of 1dkf by Molmil
CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS
分子名称: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ...
著者Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1999-12-07
公開日2000-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains.
Mol.Cell, 5, 2000
6TTZ
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BU of 6ttz by Molmil
Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state)
分子名称: ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
著者Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H.
登録日2019-12-30
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
1D9O
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BU of 1d9o by Molmil
SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12) HYBRID PEPTIDE ANALOGUE(P3)
分子名称: CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE ANALOGUE
著者Oh, D, Kim, Y.
登録日1999-10-29
公開日1999-11-12
最終更新日2018-06-27
実験手法SOLUTION NMR
主引用文献NMR structural characterization of cecropin A(1-8) - magainin 2(1-12) and cecropin A (1-8) - melittin (1-12) hybrid peptides.
J.Pept.Res., 53, 1999
3UVP
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BU of 3uvp by Molmil
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
分子名称: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-11-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
6TSO
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BU of 6tso by Molmil
Marasmius oreades agglutinin (MOA) inhibited by cadmium
分子名称: 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6TSW
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BU of 6tsw by Molmil
Isometric capsid of empty GTA particle computed with I4(I,n25r) symmetry
分子名称: Major capsid protein Rcc01687
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-12-21
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.03 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TU1
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
分子名称: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-31
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020

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