4K12
| Structural Basis for Host Specificity of Factor H Binding by Streptococcus pneumoniae | Descriptor: | Choline binding protein A, Complement factor H | Authors: | Liu, A, Achila, D, Banerjee, R, Martinez-Hackert, E, Li, Y, Yan, H. | Deposit date: | 2013-04-04 | Release date: | 2014-04-09 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.079 Å) | Cite: | Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae. Biochem.J., 465, 2015
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4K44
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4HGE
| JAK2 kinase (JH1 domain) in complex with compound 8 | Descriptor: | N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-10-08 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J.Med.Chem., 55, 2012
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4H8S
| Crystal structure of human APPL2BARPH domain | Descriptor: | DCC-interacting protein 13-beta | Authors: | Martin, J.L, King, G.J. | Deposit date: | 2012-09-23 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Membrane Curvature Protein Exhibits Interdomain Flexibility and Binds a Small GTPase. J.Biol.Chem., 287, 2012
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4A30
| CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4ID1
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4AH7
| Structure of Wild Type Stapylococcus aureus N-acetylneuraminic acid lyase in complex with pyruvate | Descriptor: | N-ACETYLNEURAMINATE LYASE | Authors: | Timms, N, Poyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Pearson, A.R, Berry, A. | Deposit date: | 2012-02-03 | Release date: | 2013-01-23 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy. Chembiochem, 14, 2013
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4JAM
| Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103 | Descriptor: | 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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4JIA
| JAK2 kinase (JH1 domain) in complex with compound 9 | Descriptor: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-03-05 | Release date: | 2013-08-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4A2Z
| CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4KLB
| Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | Descriptor: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | Authors: | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | Deposit date: | 2013-05-07 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7, 2013
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1YOU
| Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione inhibitor | Descriptor: | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE, CALCIUM ION, Collagenase 3, ... | Authors: | Pandit, J. | Deposit date: | 2005-01-28 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14. Bioorg.Med.Chem.Lett., 15, 2005
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2A0K
| Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution | Descriptor: | GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION | Authors: | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-06-16 | Release date: | 2005-07-26 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J.Med.Chem., 49, 2006
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4K0A
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4HHG
| Crystal structure of the Pseudomonas aeruginosa azurin, RuH107NO YOH109 | Descriptor: | Azurin, COPPER (II) ION, DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II) | Authors: | Herrera, N, Warren, J.J, Gray, H.B. | Deposit date: | 2012-10-09 | Release date: | 2012-11-21 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Electron Flow through Nitrotyrosinate in Pseudomonas aeruginosa Azurin. J.Am.Chem.Soc., 135, 2013
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1QP1
| KAPPA VARIABLE LIGHT CHAIN | Descriptor: | BENCE-JONES KAPPA I ANTIBODY BRE (LIGHT CHAIN) | Authors: | Steinrauf, L.K. | Deposit date: | 1999-05-30 | Release date: | 1999-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular structure of the amyloid-forming protein kappa I Bre. J.Biochem.(Tokyo), 125, 1999
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1ZCE
| X-Ray Crystal Structure of Protein Atu2648 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR33. | Descriptor: | hypothetical protein Atu2648 | Authors: | Forouhar, F, Chen, Y, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-04-11 | Release date: | 2005-04-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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1Z8P
| Ferrous dioxygen complex of the A245S cytochrome P450eryF | Descriptor: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | Authors: | Poulos, T.L, Nagano, S. | Deposit date: | 2005-03-31 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF. J.Biol.Chem., 280, 2005
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1Z7J
| Human transthyretin (also called prealbumin) complex with 3, 3',5,5'-tetraiodothyroacetic acid (t4ac) | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Transthyretin | Authors: | Neumann, P, Wojtczak, A, Cody, V. | Deposit date: | 2005-03-25 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand binding at the transthyretin dimer-dimer interface: structure of the transthyretin-T4Ac complex at 2.2 Angstrom resolution. Acta Crystallogr.,Sect.D, 61, 2005
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3YPI
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4K34
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4IVD
| JAK1 kinase (JH1 domain) in complex with compound 34 | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4HPY
| Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide | Descriptor: | CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ... | Authors: | McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D. | Deposit date: | 2012-10-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2. Immunity, 38, 2013
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4I5C
| The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2012-11-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. Bioorg.Med.Chem.Lett., 23, 2013
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4I3R
| Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | Deposit date: | 2012-11-26 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04. J.Virol., 87, 2013
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