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2PNG
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Type I rat fatty acid synthase acyl carrier protein (ACP) domain
分子名称: Fatty acid synthase (EC 2.3.1.85)
著者Ploskon, E.A, Arthur, C.J, Evans, S.E, Williams, C, Crosby, J, Crump, M.P.
登録日2007-04-24
公開日2007-06-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A Mammalian type I Fatty Acid synthase acyl carrier protein domain does not sequester acyl chains.
J.Biol.Chem., 283, 2008
1MH5
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BU of 1mh5 by Molmil
The Structure Of The Complex Of The Fab Fragment Of The Esterolytic Antibody MS6-164 and A Transition-State Analog
分子名称: IMMUNOGLOBULIN MS6-164, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE, SULFATE ION
著者Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W.
登録日2002-08-19
公開日2003-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
3UIO
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Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II
分子名称: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
著者Gareau, J.R, Reverter, D, Lima, C.D.
登録日2011-11-05
公開日2011-12-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
4CEQ
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BU of 4ceq by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: (2S)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Peat, T.S.
登録日2013-11-11
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
3BS3
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BU of 3bs3 by Molmil
Crystal structure of a putative DNA-binding protein from Bacteroides fragilis
分子名称: 1,2-ETHANEDIOL, Putative DNA-binding protein, SULFATE ION
著者Cuff, M.E, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-12-21
公開日2008-01-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structure of a putative DNA-binding protein from Bacteroides fragilis.
TO BE PUBLISHED
1MJN
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BU of 1mjn by Molmil
Crystal Structure of the intermediate affinity aL I domain mutant
分子名称: Integrin alpha-L, MAGNESIUM ION
著者Shimaoka, M, Xiao, T, Liu, J.H, Yang, Y.T, Dong, Y.C, Jun, C.D, McCormack, A, Zhang, R.G, Wang, J.H, Springer, T.A.
登録日2002-08-28
公開日2003-01-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of the alphaL I Domain and its Complex with ICAM-1 reveal a Shape-shifting Pathway for Integrin Regulation
Cell(Cambridge,Mass.), 112, 2003
3BWF
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BU of 3bwf by Molmil
Crystal structure of the human Pim1 in complex with an osmium compound
分子名称: PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
著者Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E.
登録日2008-01-09
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Similar biological activities of two isostructural ruthenium and osmium complexes.
Chemistry, 14, 2008
3UIE
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BU of 3uie by Molmil
Crystal structure of adenosine 5'-phosphosulfate kinase from Arabidopsis Thaliana in Complex with AMPPNP and APS
分子名称: ADENOSINE-5'-PHOSPHOSULFATE, Adenylyl-sulfate kinase 1, chloroplastic, ...
著者Ravilious, G.E, Jez, J.M.
登録日2011-11-04
公開日2012-01-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Structural basis and evolution of redox regulation in plant adenosine-5'-phosphosulfate kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
1UG1
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BU of 1ug1 by Molmil
SH3 domain of Hypothetical protein BAA76854.1
分子名称: KIAA1010 protein
著者Nagata, T, Muto, Y, Kamewari, Y, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-06-11
公開日2003-12-11
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structure of SH3 domain of Hypothetical protein BAA76854.1
To be Published
1S9R
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BU of 1s9r by Molmil
CRYSTAL STRUCTURE OF ARGININE DEIMINASE COVALENTLY LINKED WITH A REACTION INTERMEDIATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGININE, Arginine deiminase, ...
著者Das, K, Buttler, G.H, Kwiatkowski, V, Clark Jr, A.D, Yadav, P, Arnold, E.
登録日2004-02-05
公開日2004-04-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Arginine Deiminase with Covalent Reaction Intermediates: Implications for Catalytic Mechanism
Structure, 12, 2004
2Q9Y
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Trichodiene synthase: Complex with Mg, inorganic pyrophosphate, and benzyl triethyl ammonium cation
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Vedula, L.S, Zhao, Y, Coates, R.M, Koyama, T, Cane, D.E, Christianson, D.W.
登録日2007-06-14
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Exploring biosynthetic diversity with trichodiene synthase.
Arch.Biochem.Biophys., 466, 2007
4KJM
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BU of 4kjm by Molmil
Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB
分子名称: ACETATE ION, CHLORIDE ION, Extracellular matrix-binding protein ebh, ...
著者Cymborowski, M, Shabalin, I.G, Joachimiak, G, Chruszcz, M, Gornicki, P, Zhang, R, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2013-05-03
公開日2013-05-29
最終更新日2025-10-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB
To be Published
4KCU
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BU of 4kcu by Molmil
Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, D-MALATE, MAGNESIUM ION, ...
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-04-24
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
4E6D
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BU of 4e6d by Molmil
JAK2 kinase (JH1 domain) triple mutant in complex with compound 7
分子名称: 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-03-15
公開日2012-05-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
3UL2
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Galactose-specific lectin from Dolichos lablab in P6522 space group
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K.
登録日2011-11-10
公開日2012-11-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
1NX9
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Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin
分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase
著者Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W.
登録日2003-02-10
公開日2004-03-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
4Q1N
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Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors
分子名称: (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F.
登録日2014-04-04
公開日2014-08-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
3CCN
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X-ray structure of c-Met with triazolopyridazine inhibitor.
分子名称: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
著者Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
1IZY
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Crystal structure of Hsp31
分子名称: Hsp31
著者Cha, S.S, Lee, S.J.
登録日2002-10-16
公開日2003-10-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of human DJ-1 and Escherichia coli Hsp31, which share an evolutionarily conserved domain
J.Biol.Chem., 278, 2003
4KQF
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Crystal structure of CobT E174A complexed with adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ...
著者Chan, C.H, Newmister, S.A, Taylor, K.C, Claas, K.R, Rayment, I, Escalante-Semerena, J.C.
登録日2013-05-15
公開日2014-03-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting cobamide diversity through structural and functional analyses of the base-activating CobT enzyme of Salmonella enterica.
Biochim.Biophys.Acta, 1840, 2014
3OQJ
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Crystal structure of B. licheniformis CDPS yvmC-BLIC in complex with CAPSO
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, Putative uncharacterized protein yvmC
著者Bonnefond, L, Arai, T, Suzuki, T, Ishitani, R, Nureki, O.
登録日2010-09-03
公開日2011-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for nonribosomal peptide synthesis by an aminoacyl-tRNA synthetase paralog.
Proc.Natl.Acad.Sci.USA, 108, 2011
2D74
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Crystal structure of translation initiation factor aIF2betagamma heterodimer
分子名称: Translation initiation factor 2 beta subunit, Translation initiation factor 2 gamma subunit, ZINC ION
著者Sokabe, M, Yao, M, Sakai, N, Toya, S, Tanaka, I.
登録日2005-11-16
公開日2006-07-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of archaeal translational initiation factor 2 betagamma-GDP reveals significant conformational change of the beta-subunit and switch 1 region.
Proc.Natl.Acad.Sci.USA, 103, 2006
4K0S
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Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Developing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
1S0M
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Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*T)-3', ...
著者Ling, H, Sayer, J.M, Boudsocq, F, Plosky, B.S, Woodgate, R, Yang, W.
登録日2003-12-31
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a benzo[a]pyrene diol epoxide adduct in a ternary complex with a DNA polymerase.
Proc.Natl.Acad.Sci.USA, 101, 2004

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