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4DE1
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CTX-M-9 class A beta-lactamase complexed with compound 18
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
著者Nichols, D.A, 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 (1.26 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
4DYS
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BU of 4dys by Molmil
Crystal Structure of Apo Swine Flu Influenza Nucleoprotein
分子名称: Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献To be determined
To be Published
4DEH
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BU of 4deh by Molmil
Crystal structure of c-Met in complex with triazolopyridinone inhibitor 3
分子名称: 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Bellon, S.F, Long, A.M.
登録日2012-01-20
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DET
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BU of 4det by Molmil
Crystal Structure of the Wild Type TTR Binding Kaempferol (TTRwt:KAE)
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Transthyretin
著者Trivella, D.B.B, Polikarpov, I.
登録日2012-01-22
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis.
J.Struct.Biol., 180, 2012
4DF9
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BU of 4df9 by Molmil
Crystal structure of a putative peptidase (BF3526) from Bacteroides fragilis NCTC 9343 at 2.17 A resolution
分子名称: CHLORIDE ION, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2012-01-23
公開日2012-02-15
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of a putative peptidase (BF3526) from Bacteroides fragilis NCTC 9343 at 2.17 A resolution
To be published
4DGB
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BU of 4dgb by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: HIV-2 CA cyclophilin-binding loop complex
分子名称: TRIMCyp, capsid protein
著者Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
登録日2012-01-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DGM
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BU of 4dgm by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor apigenin
分子名称: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha, ...
著者Lolli, G, Mazzorana, M, Battistutta, R.
登録日2012-01-26
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
4E0W
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BU of 4e0w by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2012-03-05
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3501 Å)
主引用文献Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
4E18
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BU of 4e18 by Molmil
Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin
分子名称: Catenin alpha-1, Vinculin
著者Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I.
登録日2012-03-05
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
4DAB
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BU of 4dab by Molmil
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with hypoxanthine
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T.
登録日2012-01-12
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 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
4DK9
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BU of 4dk9 by Molmil
Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA
分子名称: 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ...
著者Manvilla, B.A, Toth, E.A, Drohat, A.C.
登録日2012-02-03
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA.
J.Mol.Biol., 420, 2012
8VMB
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BU of 8vmb by Molmil
The crystal structure of rhinovirus C15 RNA replication element sB-loop mutant in complex with Fab BL3-6
分子名称: Heavy Chain of Fab BL3-6, Light Chain of Fab BL3-6, RNA (83-MER)
著者Das, N.K, Koirala, D.
登録日2024-01-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis for a highly conserved RNA-mediated enteroviral genome replication.
Nucleic Acids Res., 2024
4DL5
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BU of 4dl5 by Molmil
Human DNA polymerase eta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*TP*AP*CP*GP*GP*TP*CP*AP*CP*AP*CP*T)-3'), ...
著者Zhao, Y, Biertumpfel, C, Gregory, M, Hanaoka, F, Hua, Y, Yang, W.
登録日2012-02-05
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
4DLI
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BU of 4dli by Molmil
Human p38 MAP kinase in complex with RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Gruetter, C, Getlik, M, Simard, J.R, Rauh, D.
登録日2012-02-06
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
4DLR
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BU of 4dlr by Molmil
H-Ras PEG 400/Ca(OAc)2, ordered off
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
著者Holzapfel, G, Mattos, C.
登録日2012-02-06
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.319 Å)
主引用文献Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLY
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BU of 4dly by Molmil
Set 1 CaCl2/DTT, ordered off
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
著者Holzapfel, G, Mattos, C.
登録日2012-02-06
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DG5
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BU of 4dg5 by Molmil
Crystal structure of staphylococcal Phosphoglycerate kinase
分子名称: Phosphoglycerate kinase
著者Roychowdhury, A, Mukherjee, S, Dutta, D, Das, A.K.
登録日2012-01-25
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure based functional analysis of Staphylococcal Phosphoglycerate kinase
To be Published
4DGU
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BU of 4dgu by Molmil
Crystal structure of a putative cell adhesion protein (BT0320) from Bacteroides thetaiotaomicron VPI-5482 at 2.37 A resolution
分子名称: CHLORIDE ION, ZINC ION, putative cell adhesion protein
著者Joint Center for Structural Genomics (JCSG)
登録日2012-01-26
公開日2012-02-15
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A Distinct Type of Pilus from the Human Microbiome.
Cell, 165, 2016
4DNI
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BU of 4dni by Molmil
Structure of Editosome protein
分子名称: Fusion protein of RNA-editing complex proteins MP42 and MP18
著者Park, Y.-J, Hol, W.
登録日2012-02-08
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Explorations of linked editosome domains leading to the discovery of motifs defining conserved pockets in editosome OB-folds.
J.Struct.Biol., 180, 2012
4DHV
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BU of 4dhv by Molmil
Crystal structure of the Pyrococcus furiosus ferredoxin D14C variant containing the heterometallic [AgFe3S4] cluster
分子名称: COBALT HEXAMMINE(III), Ferredoxin, SILVER/IRON/SULFUR CLUSTER
著者Jakab-Simon, I.N, Christensen, H.E.M, Haahr, L.T.
登録日2012-01-30
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Heterometallic [AgFe(3)S (4)] ferredoxin variants: synthesis, characterization, and the first crystal structure of an engineered heterometallic iron-sulfur protein.
J.Biol.Inorg.Chem., 18, 2013
4DI2
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BU of 4di2 by Molmil
Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37
分子名称: (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL
著者Whittington, D.A, Long, A.M.
登録日2012-01-30
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
4DQ5
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BU of 4dq5 by Molmil
Structural Investigation of Bacteriophage Phi6 Lysin (WT)
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5wt
著者Dessau, M.A, Modis, Y.
登録日2012-02-15
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
分子名称: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
8VM8
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BU of 8vm8 by Molmil
The crystal structure of coxsackievirus B3 RNA replication element sD-loop mutant in complex with Fab BL3-6
分子名称: Heavy Chain of Fab BL3-6, Light Chain of Fab BL3-6, RNA (93-MER)
著者Das, N.K, Koirala, D.
登録日2024-01-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis for a highly conserved RNA-mediated enteroviral genome replication.
Nucleic Acids Res., 2024
4DQF
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Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-02-15
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012

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