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3DGL
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BU of 3dgl by Molmil
1.8 A Crystal Structure of a Non-biological Protein with Bound ATP in a Novel Bent Conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP Binding Protein-DX, DI(HYDROXYETHYL)ETHER, ...
著者Simmons, C.R, Allen, J.P, Chaput, J.C.
登録日2008-06-13
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
3DJF
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BU of 3djf by Molmil
Crystal Structure of Schistosoma mansoni Purine Nucleoside Phosphorylase in a complex with BCX-34
分子名称: 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Purine-nucleoside phosphorylase, ...
著者Postigo, M.P, Pereira, H.M, Oliva, G, Andricopulo, A.D.
登録日2008-06-23
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies.
Bioorg.Med.Chem., 18, 2010
3DM6
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BU of 3dm6 by Molmil
Beta-secretase 1 complexed with statine-based inhibitor
分子名称: 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL
著者Lindberg, J, Borkakoti, N, Nystrom, S.
登録日2008-06-30
公開日2008-12-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Bioorg.Med.Chem., 16, 2008
3DPR
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BU of 3dpr by Molmil
Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3
分子名称: CALCIUM ION, LAURIC ACID, LDL-receptor class A 3, ...
著者Querol-Audi, J, Pous, J, Fita, I, Verdaguer, N.
登録日2008-07-09
公開日2009-04-07
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Minor group human rhinovirus-receptor interactions: geometry of multimodular attachment and basis of recognition
Febs Lett., 583, 2009
3E15
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BU of 3e15 by Molmil
6-phosphogluconolactonase from Plasmodium vivax
分子名称: AZIDE ION, CHLORIDE ION, Glucose-6-phosphate 1-dehydrogenase, ...
著者Arakaki, T.L, Merritt, E.A.
登録日2008-08-01
公開日2008-08-19
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献6-phosphogluconolactonase from Plasmodium vivax
To be Published
3E1V
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BU of 3e1v by Molmil
H. influenzae beta-carbonic anhydrase, variant D44N
分子名称: Carbonic anhydrase 2, ZINC ION
著者Rowlett, R.S, Chapnick, D.A, Shah, S.
登録日2008-08-04
公開日2009-06-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3DP1
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BU of 3dp1 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DRI
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BU of 3dri by Molmil
Crystal structure of Lactococcal OppA co-crystallized with an octamer peptide in an open conformation
分子名称: Oligopeptide-binding protein oppA, peptide AASASA
著者Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
3DSZ
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BU of 3dsz by Molmil
Engineered human lipocalin 2 in complex with Y-DTPA
分子名称: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2
著者Eichinger, A, Skerra, A.
登録日2008-07-14
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
3DP0
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BU of 3dp0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DRH
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BU of 3drh by Molmil
Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation
分子名称: Oligopeptide-binding protein oppA, peptide AAAAAA
著者Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
3DRF
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BU of 3drf by Molmil
Lactococcal OppA complexed with an endogenous peptide in the closed conformation
分子名称: Oligopeptide-binding protein oppA, endogenous peptide
著者Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
登録日2008-07-11
公開日2009-03-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
3DKR
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BU of 3dkr by Molmil
Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
分子名称: ACETATE ION, Esterase D
著者Bennett, M.D, Delabre, M.-L, Holland, R, Norris, G.E.
登録日2008-06-25
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of esterase D from lactobacillus rhamnosus
To be Published
3DTQ
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BU of 3dtq by Molmil
Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form
分子名称: Neutrophil gelatinase-associated lipocalin
著者Eichinger, A, Skerra, A.
登録日2008-07-15
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2.
J.Am.Chem.Soc., 131, 2009
3DUK
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BU of 3duk by Molmil
CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION (MFLA_0564) FROM METHYLOBACILLUS FLAGELLATUS KT AT 2.200 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NTF2-like protein of unknown function
著者Joint Center for Structural Genomics (JCSG)
登録日2008-07-17
公開日2008-12-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of NTF2-like protein of unknown function (YP_544675.1) from METHYLOBACILLUS FLAGELLATUS KT at 2.200 A resolution
To be Published
3E1K
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BU of 3e1k by Molmil
Crystal structure of Kluyveromyces lactis Gal80p in complex with the acidic activation domain of Gal4p
分子名称: Galactose/lactose metabolism regulatory protein GAL80, Lactose regulatory protein LAC9
著者Thoden, J.B, Holden, H.M.
登録日2008-08-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Interaction between an Acidic Transcriptional Activator and Its Inhibitor: THE MOLECULAR BASIS OF Gal4p RECOGNITION BY Gal80p.
J.Biol.Chem., 283, 2008
3DXR
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BU of 3dxr by Molmil
Crystal structure of the yeast inter-membrane space chaperone assembly TIM9.10
分子名称: Mitochondrial import inner membrane translocase subunit TIM10, Mitochondrial import inner membrane translocase subunit TIM9
著者Webb, C.T, Gulbis, J.M.
登録日2008-07-24
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional requirements for activity of the Tim9-Tim10 complex in mitochondrial protein import
Mol Biol Cell, 20, 2009
3E4G
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BU of 3e4g by Molmil
Crystal structure of bovine coupling Factor B, G28E mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
著者Stroud, R.M, Lee, J.K, Belogrudov, G.I.
登録日2008-08-11
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3E8W
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BU of 3e8w by Molmil
Crystal Structure of Epiphyas postvittana Takeout 1
分子名称: Takeout-like protein 1, Ubiquinone-8
著者Hamiaux, C, Stanley, D, Greenwood, D.R, Baker, E.N, Newcomb, R.D.
登録日2008-08-20
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Epiphyas postvittana takeout 1 with bound ubiquinone supports a role as ligand carriers for takeout proteins in insects
J.Biol.Chem., 284, 2009
3ELC
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BU of 3elc by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ...
著者Hunter, W.N, Ramsden, N.L, Ulaganathan, V.
登録日2008-09-22
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
分子名称: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
著者Rowlett, R.S, Mysliwiec, M.
登録日2008-08-07
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3ED0
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BU of 3ed0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
著者Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
登録日2008-09-02
公開日2009-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
3EH7
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BU of 3eh7 by Molmil
The structure of a putative 4-hydroxybutyrate CoA-transferase from Porphyromonas gingivalis W83
分子名称: 4-hydroxybutyrate CoA-transferase, CHLORIDE ION
著者Cuff, M.E, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-09-11
公開日2008-12-09
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of a putative 4-hydroxybutyrate CoA-transferase from Porphyromonas gingivalis W83
TO BE PUBLISHED
3E60
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BU of 3e60 by Molmil
Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from Bartonella henselae
分子名称: 3-oxoacyl-[acyl-carrier-protein ] synthase II, POTASSIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-08-14
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from Bartonella henselae
To be Published
3EMN
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BU of 3emn by Molmil
The Crystal Structure of Mouse VDAC1 at 2.3 A resolution
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
著者Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J.
登録日2008-09-24
公開日2008-12-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating
Proc.Natl.Acad.Sci.USA, 105, 2008

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