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4G3Y
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Crystal structure of TNF-alpha in complex with Infliximab Fab fragment
分子名称: Tumor necrosis factor, infliximab Fab H, infliximab Fab L
著者Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y.
登録日2012-07-15
公開日2013-03-27
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab
J.Biol.Chem., 288, 2013
3LDL
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BU of 3ldl by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
4BNG
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BU of 4bng by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol
分子名称: 5-PENTYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
4PCH
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BU of 4pch by Molmil
Structure of Human Polyomavirus 7 (HPyV7) VP1 pentamer
分子名称: GLYCEROL, VP1
著者Stroh, L.J, Stehle, T.
登録日2014-04-15
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure analysis of the major capsid proteins of human polyomaviruses 6 and 7 reveals an obstructed sialic Acid binding site.
J.Virol., 88, 2014
4BZ6
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Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4C2Y
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BU of 4c2y by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor
分子名称: CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ...
著者Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
登録日2013-08-20
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
3LRB
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BU of 3lrb by Molmil
Structure of E. coli AdiC
分子名称: Arginine/agmatine antiporter
著者Gao, X, Lu, F, Zhou, L, Shi, Y.
登録日2010-02-10
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Structure and mechanism of an amino acid antiporter
Science, 324, 2009
4BWP
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BU of 4bwp by Molmil
Structure of Drosophila Melanogaster PAN3 pseudokinase
分子名称: AMP PHOSPHORAMIDATE, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3
著者Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E.
登録日2013-07-03
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins
Mol.Cell, 51, 2013
4A1G
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The crystal structure of the human Bub1 TPR domain in complex with the KI motif of Knl1
分子名称: MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, PROTEIN CASC5
著者Krenn, V, Wehenkel, A, Li, X, Santaguida, S, Musacchio, A.
登録日2011-09-15
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis Reveals Features of the Spindle Checkpoint Kinase Bub1-Kinetochore Subunit Knl1 Interaction.
J.Cell Biol., 196, 2012
4A1V
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BU of 4a1v by Molmil
Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
分子名称: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
3LKH
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BU of 3lkh by Molmil
Inhibitors of Hepatitis C Virus Polymerase: Synthesis and Characterization of Novel 6-Fluoro-N-[2-Hydroxy-1(S)-Benzamides
分子名称: 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide, RNA-directed RNA polymerase
著者Lesburg, C.A.
登録日2010-01-27
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
4DIA
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BU of 4dia by Molmil
CRYSTAL STRUCTURE OF THE D248N mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 4.6
分子名称: 2-pyrone-4,6-dicarbaxylate hydrolase
著者Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C.
登録日2012-01-11
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
4DT6
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BU of 4dt6 by Molmil
Co-crystal structure of eIF4E with inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ...
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-20
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4ALI
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BU of 4ali by Molmil
Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1)
分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiebel, J, Chang, A, Tonge, P.J, Kisker, C.
登録日2012-03-04
公開日2012-05-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
3LBY
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BU of 3lby by Molmil
Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH
分子名称: Putative uncharacterized protein SMU.1697c, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, K.-T, Nan, J, Su, X.-D.
登録日2010-01-08
公開日2011-01-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH
To be published
4DGR
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BU of 4dgr by Molmil
Influenza Subtype 9 Neuraminidase Benzoic Acid Inhibitor Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid, CALCIUM ION, ...
著者Venkatramani, L, Johnson, E, Kolavi, G, Air, G.M, Brouillette, W, Mooers, B.H.M.
登録日2012-01-26
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking sub-site C6.
Bmc Struct.Biol., 12, 2012
4AL3
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BU of 4al3 by Molmil
peptide deformylase (Co-form) with mercaptoethanol
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ...
著者Palm, G.J, Hinrichs, W.
登録日2012-02-29
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Inorg.Chem., 51, 2012
4DHM
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BU of 4dhm by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4DHT
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BU of 4dht by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4AOZ
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BU of 4aoz by Molmil
B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121)
分子名称: 2'-DEOXYURIDINE, ACETATE ION, CHLORIDE ION, ...
著者Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S.
登録日2012-03-30
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
3LSD
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BU of 3lsd by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9
分子名称: Galectin-9
著者Ruiz, F.M, Romero, A.
登録日2010-02-12
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
4A3S
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BU of 4a3s by Molmil
Crystal structure of PFK from Bacillus subtilis
分子名称: 6-PHOSPHOFRUCTOKINASE
著者Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J.
登録日2011-10-04
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome.
J.Mol.Biol., 416, 2012
4P1G
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BU of 4p1g by Molmil
Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
登録日2014-02-26
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
4P4R
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BU of 4p4r by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-13
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
3LU2
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Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase
分子名称: Lmo2462 protein, ZINC ION
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-02-16
公開日2010-03-09
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase
To be Published

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