4G3Y
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![BU of 4g3y by Molmil](/molmil-images/mine/4g3y) | Crystal structure of TNF-alpha in complex with Infliximab Fab fragment | Descriptor: | Tumor necrosis factor, infliximab Fab H, infliximab Fab L | Authors: | Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2012-07-15 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab J.Biol.Chem., 288, 2013
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3LDL
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![BU of 3ldl by Molmil](/molmil-images/mine/3ldl) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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4BNG
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![BU of 4bng by Molmil](/molmil-images/mine/4bng) | Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol | Descriptor: | 5-PENTYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4PCH
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![BU of 4pch by Molmil](/molmil-images/mine/4pch) | |
4BZ6
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![BU of 4bz6 by Molmil](/molmil-images/mine/4bz6) | Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
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4C2Y
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![BU of 4c2y by Molmil](/molmil-images/mine/4c2y) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor | Descriptor: | CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ... | Authors: | 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. | Deposit date: | 2013-08-20 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells. Nat.Commun., 5, 2014
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3LRB
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![BU of 3lrb by Molmil](/molmil-images/mine/3lrb) | Structure of E. coli AdiC | Descriptor: | Arginine/agmatine antiporter | Authors: | Gao, X, Lu, F, Zhou, L, Shi, Y. | Deposit date: | 2010-02-10 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Structure and mechanism of an amino acid antiporter Science, 324, 2009
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4BWP
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![BU of 4bwp by Molmil](/molmil-images/mine/4bwp) | Structure of Drosophila Melanogaster PAN3 pseudokinase | Descriptor: | AMP PHOSPHORAMIDATE, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3 | Authors: | Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. | Deposit date: | 2013-07-03 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins Mol.Cell, 51, 2013
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4A1G
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![BU of 4a1g by Molmil](/molmil-images/mine/4a1g) | The crystal structure of the human Bub1 TPR domain in complex with the KI motif of Knl1 | Descriptor: | MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, PROTEIN CASC5 | Authors: | Krenn, V, Wehenkel, A, Li, X, Santaguida, S, Musacchio, A. | Deposit date: | 2011-09-15 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis Reveals Features of the Spindle Checkpoint Kinase Bub1-Kinetochore Subunit Knl1 Interaction. J.Cell Biol., 196, 2012
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4A1V
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![BU of 4a1v by Molmil](/molmil-images/mine/4a1v) | Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E | Descriptor: | CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ... | Authors: | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | Deposit date: | 2011-09-20 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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3LKH
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![BU of 3lkh by Molmil](/molmil-images/mine/3lkh) | |
4DIA
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![BU of 4dia by Molmil](/molmil-images/mine/4dia) | CRYSTAL STRUCTURE OF THE D248N mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 4.6 | Descriptor: | 2-pyrone-4,6-dicarbaxylate hydrolase | Authors: | Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. | Deposit date: | 2012-01-11 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
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4DT6
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![BU of 4dt6 by Molmil](/molmil-images/mine/4dt6) | Co-crystal structure of eIF4E with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ... | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | Deposit date: | 2012-02-20 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction. J.Med.Chem., 55, 2012
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4ALI
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![BU of 4ali by Molmil](/molmil-images/mine/4ali) | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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3LBY
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![BU of 3lby by Molmil](/molmil-images/mine/3lby) | |
4DGR
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![BU of 4dgr by Molmil](/molmil-images/mine/4dgr) | Influenza Subtype 9 Neuraminidase Benzoic Acid Inhibitor Complex | Descriptor: | 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, ... | Authors: | Venkatramani, L, Johnson, E, Kolavi, G, Air, G.M, Brouillette, W, Mooers, B.H.M. | Deposit date: | 2012-01-26 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | 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
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4AL3
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4DHM
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![BU of 4dhm by Molmil](/molmil-images/mine/4dhm) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHT
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![BU of 4dht by Molmil](/molmil-images/mine/4dht) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4AOZ
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![BU of 4aoz by Molmil](/molmil-images/mine/4aoz) | B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121) | Descriptor: | 2'-DEOXYURIDINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-03-30 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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3LSD
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![BU of 3lsd by Molmil](/molmil-images/mine/3lsd) | N-Domain of human adhesion/growth-regulatory galectin-9 | Descriptor: | Galectin-9 | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2010-02-12 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | 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
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4A3S
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![BU of 4a3s by Molmil](/molmil-images/mine/4a3s) | Crystal structure of PFK from Bacillus subtilis | Descriptor: | 6-PHOSPHOFRUCTOKINASE | Authors: | Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J. | Deposit date: | 2011-10-04 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome. J.Mol.Biol., 416, 2012
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4P1G
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![BU of 4p1g by Molmil](/molmil-images/mine/4p1g) | Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Metal transporter CNNM2 | Authors: | 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. | Deposit date: | 2014-02-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To Be Published
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4P4R
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![BU of 4p4r by Molmil](/molmil-images/mine/4p4r) | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ... | Authors: | Clayton, G.M, Crawford, F, Kappler, J.W. | Deposit date: | 2014-03-13 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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3LU2
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![BU of 3lu2 by Molmil](/molmil-images/mine/3lu2) | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase | Descriptor: | Lmo2462 protein, ZINC ION | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-16 | Release date: | 2010-03-09 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase To be Published
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