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4DTY
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BU of 4dty by Molmil
cytochrome P450 BM3h-8C8 MRI sensor, no ligand
分子名称: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8
著者Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
登録日2012-02-21
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
3GF9
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BU of 3gf9 by Molmil
Crystal structure of human Intersectin 2 RhoGEF domain
分子名称: Intersectin 2, UNKNOWN ATOM OR ION
著者Shen, Y, Tong, Y, Tempel, W, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-02-26
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human Intersectin 2 RhoGEF domain
To be Published
2O8V
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BU of 2o8v by Molmil
PAPS reductase in a covalent complex with thioredoxin C35A
分子名称: Phosphoadenosine phosphosulfate reductase, Thioredoxin 1
著者Chartron, J, Shiau, C, Stout, C.D, Carroll, K.S.
登録日2006-12-12
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献3'-Phosphoadenosine-5'-phosphosulfate Reductase in Complex with Thioredoxin: A Structural Snapshot in the Catalytic Cycle.
Biochemistry, 46, 2007
2OD9
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BU of 2od9 by Molmil
Structural Basis for Nicotinamide Inhibition and Base Exchange in Sir2 Enzymes
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, H4 peptide, NAD-dependent deacetylase HST2, ...
著者Marmorstein, R, Sanders, B.D.
登録日2006-12-21
公開日2007-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
2O95
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BU of 2o95 by Molmil
Crystal Structure of the Metal-Free Dimeric Human Mov34 MPN domain (residues 1-186)
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 26S proteasome non-ATPase regulatory subunit 7, DODECAETHYLENE GLYCOL, ...
著者Sanches, M, Alves, B.S.C, Zanchin, N.I.T, Guimaraes, B.G.
登録日2006-12-13
公開日2007-07-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of the Human Mov34 MPN Domain Reveals a Metal-free Dimer
J.Mol.Biol., 370, 2007
4DJX
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BU of 4djx by Molmil
Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
分子名称: (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4H95
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BU of 4h95 by Molmil
Candida albicans dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (UCP1006)
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Paulsen, J.L, Anderson, A.C.
登録日2012-09-24
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
3R96
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BU of 3r96 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA and AMP
分子名称: ACETYL COENZYME *A, ADENOSINE MONOPHOSPHATE, MccE protein
著者Nair, S.K, Agarwal, V.
登録日2011-03-24
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3GAC
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BU of 3gac by Molmil
Structure of mif with HPP
分子名称: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ...
著者Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
登録日2009-02-17
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
3RGF
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BU of 3rgf by Molmil
Crystal Structure of human CDK8/CycC
分子名称: 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ...
著者Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K.
登録日2011-04-08
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
3R9I
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BU of 3r9i by Molmil
2.6A resolution structure of MinD complexed with MinE (12-31) peptide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD
著者Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J.
登録日2011-03-25
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Cell(Cambridge,Mass.), 146, 2011
4H9E
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BU of 4h9e by Molmil
Radiation damage study of lysozyme - 0.84 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1998 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4DLC
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BU of 4dlc by Molmil
Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ...
著者Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
登録日2012-02-06
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
3RAV
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BU of 3rav by Molmil
Horse spleen apo-ferritin with bound Pentobarbital
分子名称: 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione, CADMIUM ION, Ferritin light chain, ...
著者Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J.
登録日2011-03-28
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High resolution view of barbiturate recognition by a protein binding site
to be published
3RHH
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BU of 3rhh by Molmil
Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125 complexed with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION
著者Malashkevich, V.N, Toro, R, Seidel, R, Garrett, S, Foti, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-04-11
公開日2011-05-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125 complexed with NADP
To be Published
4DO5
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BU of 4do5 by Molmil
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Clark, N.E, Garman, S.C.
登録日2012-02-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
Proc.Natl.Acad.Sci.USA, 109, 2012
3RIE
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BU of 3rie by Molmil
The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
著者Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S.
登録日2011-04-13
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail.
Malar J, 14, 2015
4DWH
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BU of 4dwh by Molmil
Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution)
分子名称: Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Scharer, M.A, Puorger, C, Crespo, M, Glockshuber, R, Capitani, G.
登録日2012-02-24
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
3GFW
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BU of 3gfw by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand
分子名称: 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
2OKA
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BU of 2oka by Molmil
Crystal structure of Q9HYQ7_PSEAE from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR82
分子名称: Hypothetical protein
著者Benach, J, Neely, H, Seetharaman, J, Chen, X.C, Fang, Y, Cunningham, K, Owens, L, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-01-16
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Q9HYQ7_PSEAE from Pseudomonas aeruginosa
To be Published
4DQG
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BU of 4dqg by Molmil
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
分子名称: ACETATE ION, Aspartyl protease, GLYCEROL, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-02-15
公開日2012-03-07
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
3G8D
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BU of 3g8d by Molmil
Crystal structure of the biotin carboxylase subunit, E296A mutant, of acetyl-COA carboxylase from Escherichia coli
分子名称: ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, MAGNESIUM ION, ...
著者Chou, C.Y, Yu, L.P, Tong, L.
登録日2009-02-12
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism.
J.Biol.Chem., 284, 2009
2OGR
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BU of 2ogr by Molmil
Crystal Structure of Yellow Fluorescent Protein from Zoanthus sp. at 1.8 A Resolution
分子名称: FLUORESCENT PROTEIN FP538
著者Pletneva, N.V, Pletnev, S.V, Tikhonova, T.V, Pletnev, V.Z.
登録日2007-01-08
公開日2007-09-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of yellow fluorescent protein zYFP538 from Zoanthus sp. at the resolution 1.8 angstrom
Bioorg.Khim., 33
4DQP
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Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template)
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-16
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3RFW
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BU of 3rfw by Molmil
The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally-related SurA-like chaperones in the human pathogen Campylobacter jejuni
分子名称: Cell-binding factor 2
著者Kale, A, Phansopa, C, Suwannachart, C, Craven, C.J, Rafferty, J, Kelly, D.J.
登録日2011-04-07
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally-related SurA-like chaperones in the human pathogen Campylobacter jejuni
To be Published

223790

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