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3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A.
登録日2011-07-14
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
2WFB
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BU of 2wfb by Molmil
High resolution structure of the apo form of the orange protein (ORP) from Desulfovibrio gigas
分子名称: ACETATE ION, PHOSPHATE ION, PUTATIVE UNCHARACTERIZED PROTEIN ORP
著者Najmudin, S, Bonifacio, C, Duarte, A.G, Pereira, A.S, Moura, I, Moura, J.M, Romao, M.J.
登録日2009-04-03
公開日2010-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Crystal Structure of the Apo Form of the Orange Protein (Apo-Orp) from Desulfovibrio Gigas
To be Published
3T0L
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BU of 3t0l by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3T0S
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BU of 3t0s by Molmil
Crystal structure of Pseudomonas aeruginosa OccK4 (OpdL)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, porin
著者van den Berg, B, Eren, E.
登録日2011-07-20
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T15
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BU of 3t15 by Molmil
Structure of green-type Rubisco activase from tobacco
分子名称: Ribulose bisphosphate carboxylase/oxygenase activase 1, chloroplastic
著者Stotz, M, Wendler, P, Mueller-Cajar, O, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
登録日2011-07-21
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of green-type Rubisco activase from tobacco.
Nat.Struct.Mol.Biol., 18, 2011
3T5X
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BU of 3t5x by Molmil
PCID2:DSS1 Structure
分子名称: 26S proteasome complex subunit DSS1, PCI domain-containing protein 2
著者Stewart, M, Ellisdon, A.M.
登録日2011-07-28
公開日2012-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.123 Å)
主引用文献Structural basis for the assembly and nucleic acid binding of the TREX-2 transcription-export complex.
Nat.Struct.Mol.Biol., 19, 2012
3SQZ
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BU of 3sqz by Molmil
Crystal structure of HMG_CoA synthase complexed with CoA
分子名称: COENZYME A, GLYCEROL, Putative hydroxymethylglutaryl-CoA synthase
著者Liu, Y.H, Fu, T.M, Liu, X, Su, X.D.
登録日2011-07-06
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of HMG-CoA synthase from Streptococcus mutans
To be Published
3D65
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BU of 3d65 by Molmil
Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
分子名称: CALCIUM ION, Cationic trypsin, Textilinin
著者Millers, E.-K.I, Masci, P.P, Lavin, M.F, de Jersey, J, Guddat, L.W.
登録日2008-05-19
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
To be Published
3CYE
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BU of 3cye by Molmil
Cyrstal structure of the native 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Zhu, X, Xu, X, Wilson, I.A.
登録日2008-04-25
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure determination of the 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
Acta Crystallogr.,Sect.D, 64, 2008
2W4S
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BU of 2w4s by Molmil
novel RNA-binding domain in Cryptosporidium parvum at 2.5 angstrom resolution
分子名称: Ankyrin-repeat protein
著者Varrot, A, Mackereth, C, Mourao, A, Sattler, M, Cusack, S.
登録日2008-12-02
公開日2009-12-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax.
RNA, 16, 2010
3CEK
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BU of 3cek by Molmil
Crystal structure of human dual specificity protein kinase (TTK)
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
3CFO
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BU of 3cfo by Molmil
Triple Mutant APO structure
分子名称: DNA polymerase, GUANOSINE, SULFATE ION
著者Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
登録日2008-03-04
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
2VW8
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BU of 2vw8 by Molmil
Crystal Structure of Quinolone signal response protein pqsE from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, FE (II) ION, ...
著者Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F.
登録日2008-06-17
公開日2010-07-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
3D3X
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BU of 3d3x by Molmil
Crystal structure of botulinum neurotoxin serotype E catalytic domain in complex with SNAP-25 substrate peptide
分子名称: SNAP-25 substrate peptide, SULFATE ION, Type E botulinum toxin, ...
著者Agarwal, R, Swaminathan, S.
登録日2008-05-13
公開日2008-07-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SNAP-25 substrate peptide (residues 180-183) binds to but bypasses cleavage by catalytically active Clostridium botulinum neurotoxin E.
J.Biol.Chem., 283, 2008
2VQ1
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BU of 2vq1 by Molmil
anti trimeric Lewis X Fab54-5C10-A
分子名称: ANTI-HUMAN FC GAMMA RECEPTOR III 3G8 GAMMA HEAVY CHAIN VARIABLE REGION, AZIDE ION, GLYCEROL, ...
著者de Geus, D.C, van Roon, A.M.M, Thomassen, E.A.J, Hokke, C.H, Deelder, A.M, Abrahams, J.P.
登録日2008-03-10
公開日2009-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of a Diagnostic Fab Fragment Binding Trimeric Lewis X.
Proteins, 76, 2009
3CNW
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BU of 3cnw by Molmil
Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
分子名称: Protein XoxI
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-03-26
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
To Be Published
2WD7
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BU of 2wd7 by Molmil
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750
分子名称: 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
著者Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R.
登録日2009-03-20
公開日2009-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
3POT
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BU of 3pot by Molmil
Structural analysis of a Ni(III)-methyl species in methyl-coenzyme M reductase from Methanothermobacter marburgensis
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
著者Cedervall, P.E, Wilmot, C.M.
登録日2010-11-23
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Analysis of a Ni-Methyl Species in Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis.
J.Am.Chem.Soc., 133, 2011
3PQD
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BU of 3pqd by Molmil
Crystal structure of L-lactate dehydrogenase from Bacillus subtilis complexed with FBP and NAD+
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zhang, Y, Garavito, R.M.
登録日2010-11-26
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.376 Å)
主引用文献Crystal structure of L-lactate dehydrogenase from Bacillus subtilis complexed with FBP and NAD+
To be Published
3CSG
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BU of 3csg by Molmil
Crystal Structure of Monobody YS1(MBP-74)/Maltose Binding Protein Fusion Complex
分子名称: Maltose-binding protein Monobody YS1 Fusion
著者Gilbreth, R.N, Koide, S.
登録日2008-04-09
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A Dominant Conformational Role for Amino Acid Diversity in Minimalist Protein-Protein Interfaces
J.Mol.Biol., 381, 2008
3PWQ
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BU of 3pwq by Molmil
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex
分子名称: Phenylacetic acid degradation protein paaA, Phenylacetic acid degradation protein paaC
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-12-08
公開日2011-01-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and Functional Studies of the Escherichia coli Phenylacetyl-CoA Monooxygenase Complex.
J.Biol.Chem., 286, 2011
2VYN
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BU of 2vyn by Molmil
Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer
分子名称: FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Frayne, J, Taylor, A, Hall, L, Hadfield, A.
登録日2008-07-25
公開日2008-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
J.Biol.Chem., 284, 2009
3RF4
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BU of 3rf4 by Molmil
Ancylostoma ceylanicum mif in complex with furosemide
分子名称: 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, ACETATE ION, IMIDAZOLE, ...
著者Cho, Y, Lolis, E.
登録日2011-04-05
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors.
Chem.Biol., 18, 2011
3QZV
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BU of 3qzv by Molmil
Crystal Structure of BPTF PHD-linker-bromo in complex with histone H4K12ac peptide
分子名称: Histone H4, Nucleosome-remodeling factor subunit BPTF, ZINC ION
著者Li, H, Ruthenburg, A.J, Patel, D.J.
登録日2011-03-07
公開日2011-06-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
2VYV
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Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer
分子名称: FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Frayne, J, Taylor, A, Hall, L, Hadfield, A.
登録日2008-07-29
公開日2008-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
J.Biol.Chem., 284, 2009

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