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3F5H
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Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase
分子名称: SODIUM ION, Type I polyketide synthase PikAIII, Type I polyketide synthase PikAIV fusion protein
著者Buchholz, T.J, Geders, T.W, Bartley, F.E, Reynolds, K.A, Smith, J.L, Sherman, D.H.
登録日2008-11-03
公開日2009-01-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for binding specificity between subclasses of modular polyketide synthase docking domains.
Acs Chem.Biol., 4, 2009
4D98
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Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group H32 at pH 7.5
分子名称: CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ...
著者Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T.
登録日2012-01-11
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
4D9H
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Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenosine
分子名称: ADENOSINE, Purine nucleoside phosphorylase deoD-type
著者Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T.
登録日2012-01-11
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
3F75
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Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2008-11-07
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
4HWS
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BU of 4hws by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HZC
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Crystal structure of Serine acetyltransferase from Brucella abortus strain S19
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CysE, ...
著者Kumar, S, Samudrala, G.
登録日2012-11-15
公開日2014-02-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of serine acetyl transferase from Brucella abortus and its complex with coenzyme A.
Biochim.Biophys.Acta, 1844, 2014
4DE0
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CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DZW
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Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Aripirala, S, Amzel, L.M, Gabelli, S.B.
登録日2012-03-01
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
3D0R
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Crystal structure of calG3 from Micromonospora echinospora determined in space group P2(1)
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein CalG3
著者Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N.
登録日2008-05-02
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 2008
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
分子名称: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Capodagli, G.C, Pegan, S.D.
登録日2012-01-20
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
4E0L
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FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN)
著者Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RUU
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FXR with SRC1 and GSK237
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3D2O
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Crystal Structure of Manganese-metallated GTP Cyclohydrolase Type IB
分子名称: AZIDE ION, CHLORIDE ION, LITHIUM ION, ...
著者Swairjo, M.A.
登録日2008-05-08
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Zinc-independent folate biosynthesis: genetic, biochemical, and structural investigations reveal new metal dependence for GTP cyclohydrolase IB
J.Bacteriol., 191, 2009
4I59
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BU of 4i59 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexanone
分子名称: CYCLOHEXANONE, Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
3CY3
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BU of 3cy3 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V
分子名称: (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V.
To be Published
3RZI
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BU of 3rzi by Molmil
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis cocrystallized and complexed with phenylalanine and tryptophan
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Jiao, W, Jameson, G.B, Hutton, R.D, Parker, E.J.
登録日2011-05-11
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
J.Mol.Biol., 415, 2012
4E3J
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BU of 4e3j by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7999 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3X
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Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ...
著者Tanner, J.J, Pemberton, T.A.
登録日2012-03-10
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3RYB
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Lactococcal OppA complexed with SLSQSLSQS
分子名称: Oligopeptide, Oligopeptide-binding protein oppA
著者Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J.
登録日2011-05-11
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
4I5H
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Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor
分子名称: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
著者Hari, S.B, Maly, D.J, Merritt, E.A.
登録日2012-11-28
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sequence determinants of a specific inactive protein kinase conformation.
Chem.Biol., 20, 2013
3D5R
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Crystal Structure of Efb-C (N138A) / C3d Complex
分子名称: Complement C3, Fibrinogen-binding protein
著者Geisbrecht, B.V.
登録日2008-05-16
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
4DAY
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BU of 4day by Molmil
Crystal structure of the RMI core complex with MM2 peptide from FANCM
分子名称: Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
著者Hoadley, K.A, Keck, J.L.
登録日2012-01-13
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome.
Proc.Natl.Acad.Sci.USA, 109, 2012
3D5T
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Crystal structure of malate dehydrogenase from Burkholderia pseudomallei
分子名称: MAGNESIUM ION, Malate dehydrogenase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-05-16
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal Structure of Malate Dehydrogenase from Burkholderia pseudomallei.
To be Published
2NOO
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Crystal Structure of Mutant NikA
分子名称: IODIDE ION, NICKEL (II) ION, Nickel-binding periplasmic protein
著者Addy, C, Ohara, M, Kawai, F, Kidera, A, Ikeguchi, M, Fuchigami, S, Osawa, M, Shimada, I, Park, S.Y, Tame, J.R.H, Heddle, J.G.
登録日2006-10-26
公開日2007-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Nickel binding to NikA: an additional binding site reconciles spectroscopy, calorimetry and crystallography.
Acta Crystallogr.,Sect.D, 63, 2007
3S5Z
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Pharmacological Chaperoning in Human alpha-Galactosidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, GLYCEROL, ...
著者Guce, A.I, Clark, N.E, Garman, S.C.
登録日2011-05-23
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011

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