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4NEY
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Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium
著者Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-30
公開日2014-01-15
実験手法X-RAY DIFFRACTION (2.323 Å)
主引用文献Northeast Structural Genomics Consortium Target OR277
To be published
4NE1
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Human MHF1 MHF2 DNA complexes
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.499 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NGA
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Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4EYC
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BU of 4eyc by Molmil
Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD)
分子名称: Cathelicidin antimicrobial peptide
著者Pazgier, M, Pozharski, E, Toth, E, Lu, W.
登録日2012-05-01
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37.
Biochemistry, 52, 2013
4NDY
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Human MHF1-MHF2 DNA complex
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.999 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NEZ
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BU of 4nez by Molmil
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium
著者Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-30
公開日2014-01-15
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Northeast Structural Genomics Consortium Target OR276
To be published
4EAG
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BU of 4eag by Molmil
Co-crystal structure of an chimeric AMPK core with ATP
分子名称: 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
登録日2012-03-22
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4EPP
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Canonical poly(ADP-ribose) glycohydrolase from Tetrahymena thermophila.
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2012-04-17
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4NFN
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Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
分子名称: 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NER
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Multicopper Oxidase CueO (data1)
分子名称: Blue copper oxidase CueO, COPPER (II) ION, HYDROXIDE ION, ...
著者Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y.
登録日2013-10-30
公開日2014-03-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New insights into the catalytic active-site structure of multicopper oxidases.
Acta Crystallogr.,Sect.D, 70, 2014
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
分子名称: Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-19
公開日2014-09-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N83
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X-ray crystal structure of Streptococcus sanguinis dimanganese(II)-NrdF
分子名称: MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Boal, A.K, Rosenzweig, A.C.
登録日2013-10-16
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Streptococcus sanguinis Class Ib Ribonucleotide Reductase: HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTORS AND STRUCTURAL INSIGHTS.
J.Biol.Chem., 289, 2014
4NA6
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BU of 4na6 by Molmil
Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain mutant E749N
分子名称: Poly(ADP-ribose) glycohydrolase, SULFATE ION
著者Wang, Z, Cheng, Z, Xu, W.
登録日2013-10-21
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase.
Plos One, 9, 2014
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
分子名称: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4MXP
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Structural Basis for PI(4)P-Specific Membrane Recruitment of the Legionella pneumophila Effector DrrA/SidM
分子名称: (2R)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, Defects in Rab1 recruitment protein A, SODIUM ION
著者Del Campo, C.M, Mishra, A.K, Wang, Y.H, Roy, C.R, Janmey, P.A, Lambright, D.G.
登録日2013-09-26
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis for PI(4)P-Specific Membrane Recruitment of the Legionella pneumophila Effector DrrA/SidM.
Structure, 22, 2014
4N2G
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BU of 4n2g by Molmil
Crystal structure of Protein Arginine Deiminase 2 (D169A, 10 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N28
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Crystal structure of Protein Arginine Deiminase 2 (1 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N3P
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Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Kogan, S, Maglaqui, M, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-07
公開日2013-11-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
To be Published
4N8J
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F60M mutant, RipA structure
分子名称: ACETATE ION, COENZYME A, PHOSPHATE ION, ...
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4DVS
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BU of 4dvs by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-557
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2012-02-23
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
4DDJ
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BU of 4ddj by Molmil
Crystal structure of saposin A in complex with lauryldimethylamine-N-oxide (LDAO)
分子名称: LAURYL DIMETHYLAMINE-N-OXIDE, Saposin-A
著者Popovic, K, Prive, G.G.
登録日2012-01-18
公開日2012-02-15
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of saposin A lipoprotein discs.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DCI
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Crystal structure of unknown funciton protein from Synechococcus sp. WH 8102
分子名称: SULFATE ION, uncharacterized protein
著者Chang, C, Marshall, N, Bearden, J, Palenik, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-17
公開日2012-02-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal structure of unknown function protein from Synechococcus sp. WH 8102
To be Published
4DGT
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Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 crystallized with magnesium formate
分子名称: CHLORIDE ION, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-26
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of putative aminotransferase from Clostridium difficile 630
to be published
4N13
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Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi
分子名称: 1,2-ETHANEDIOL, Phosphate ABC transporter, periplasmic phosphate-binding protein, ...
著者Brautigam, C.A, Deka, R.K, Norgard, M.V.
登録日2013-10-03
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Sequence, biophysical, and structural analyses of the PstS lipoprotein (BB0215) from Borrelia burgdorferi reveal a likely binding component of an ABC-type phosphate transporter.
Protein Sci., 23, 2014
4N2K
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Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-05
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015

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