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4AJF
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BU of 4ajf by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
Descriptor: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
Authors: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.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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.
Descriptor: MANGANESE (II) ION, Uncharacterized protein yqbN
Authors: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)
Deposit date:2009-11-09
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: N3, N4-DIMETHYLARGININE, SURVIVAL OF MOTOR NEURON-RELATED-SPLICING FACTOR 30
Authors:Tripsianes, K, Madl, T, Machyna, M, Fessas, D, Englbrecht, C, Fischer, U, Neugebauer, K.M, Sattler, M.
Deposit date:2011-10-12
Release date:2011-11-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Dihydropteroate synthase, SULFATE ION
Authors:Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: SULFATE ION, uncharacterized protein PA2107
Authors: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)
Deposit date:2009-10-19
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
Authors:Cordara, G, Manna, D, Krengel, U.
Deposit date:2019-12-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Tail tube protein Rcc01691
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-12-21
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite: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)
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Centromere protein S, Centromere protein X, DNA (26-MER)
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (6.499 Å)
Cite: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
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 mutant Q50M, E47N, ...
Authors:Bloch, J.S, Hilvert, D.
Deposit date:2020-01-02
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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)
Descriptor: CALCIUM ION, Sodium/calcium exchanger 1
Authors:Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D.
Deposit date:2011-11-23
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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)
Descriptor: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 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
Descriptor: Endonuclease V
Authors: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)
Deposit date:2009-02-16
Release date:2009-02-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Endonuclease_V (BSU36170) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR624
To be Published
3KF9
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BU of 3kf9 by Molmil
Crystal structure of the SdCen/skMLCK complex
Descriptor: CALCIUM ION, Caltractin, Myosin light chain kinase 2, ...
Authors:Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T.
Deposit date:2009-10-27
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: INOSITOL HEXAKISPHOSPHATE, MERCURY (II) ION, PHYTASE
Authors:Lim, D, Golovan, S, Forsberg, C.W, Jia, Z.
Deposit date:1999-12-08
Release date:2000-08-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C.
Deposit date:2011-11-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite: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
Descriptor: 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')
Authors:Gallego, J, Loakes, D.
Deposit date:2006-12-05
Release date:2007-04-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite: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
Descriptor: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ...
Authors:Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1999-12-07
Release date:2000-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: 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
Authors: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.
Deposit date:2019-12-30
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE ANALOGUE
Authors:Oh, D, Kim, Y.
Deposit date:1999-10-29
Release date:1999-11-12
Last modified:2018-06-27
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ...
Authors:Cordara, G, Manna, D, Krengel, U.
Deposit date:2019-12-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Major capsid protein Rcc01687
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-12-21
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-31
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020

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