2PW1
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![BU of 2pw1 by Molmil](/molmil-images/mine/2pw1) | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWNSL | Descriptor: | 2F5 Fab fragment heavy chain, 2F5 Fab fragment light chain, peptide epitope | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | Deposit date: | 2007-05-10 | Release date: | 2007-05-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications. J.Virol., 83, 2009
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2Q5R
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![BU of 2q5r by Molmil](/molmil-images/mine/2q5r) | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase | Descriptor: | Tagatose-6-phosphate kinase | Authors: | McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2007-06-01 | Release date: | 2007-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase TO BE PUBLISHED
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2P1F
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![BU of 2p1f by Molmil](/molmil-images/mine/2p1f) | |
3RFN
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![BU of 3rfn by Molmil](/molmil-images/mine/3rfn) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_1wnu_001, ZINC ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-06 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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2P8M
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![BU of 2p8m by Molmil](/molmil-images/mine/2p8m) | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN in new crystal form | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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1SUO
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![BU of 1suo by Molmil](/molmil-images/mine/1suo) | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | Deposit date: | 2004-03-26 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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3RHU
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![BU of 3rhu by Molmil](/molmil-images/mine/3rhu) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | SC_1wnu | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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1ATL
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![BU of 1atl by Molmil](/molmil-images/mine/1atl) | Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D) | Descriptor: | CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ... | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | Deposit date: | 1995-05-26 | Release date: | 1995-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d). Proc.Natl.Acad.Sci.USA, 91, 1994
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3TDA
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![BU of 3tda by Molmil](/molmil-images/mine/3tda) | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | Descriptor: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-08-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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3SW6
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![BU of 3sw6 by Molmil](/molmil-images/mine/3sw6) | |
2Q8L
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![BU of 2q8l by Molmil](/molmil-images/mine/2q8l) | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum | Descriptor: | Orotidine-monophosphate-decarboxylase, PHOSPHATE ION | Authors: | Liu, Y, Lau, W, Lew, J, Amani, M, Hui, R, Pai, E.F, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-11 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum. To be Published
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3TBG
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![BU of 3tbg by Molmil](/molmil-images/mine/3tbg) | Human cytochrome P450 2D6 with two thioridazines bound in active site | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-08-05 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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1DPK
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![BU of 1dpk by Molmil](/molmil-images/mine/1dpk) | |
3THQ
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![BU of 3thq by Molmil](/molmil-images/mine/3thq) | |
2O1B
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![BU of 2o1b by Molmil](/molmil-images/mine/2o1b) | Structure of aminotransferase from Staphylococcus aureus | Descriptor: | Aminotransferase, class I, PYRIDOXAL-5'-PHOSPHATE | Authors: | McGrath, T.E, Dharamsi, A, Thambipillai, D, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-11-28 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of aminotransferase from Staphylococcus aureus To be Published
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1DPQ
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![BU of 1dpq by Molmil](/molmil-images/mine/1dpq) | |
3UNC
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![BU of 3unc by Molmil](/molmil-images/mine/3unc) | Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, CARBONATE ION, ... | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | Deposit date: | 2011-11-15 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase. J.Am.Chem.Soc., 134, 2012
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2P8P
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![BU of 2p8p by Molmil](/molmil-images/mine/2p8p) | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LELDKWASLW[N-Ac] | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | Authors: | Bryson, S, Julien, J.-P, Pai, E.F. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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1DVJ
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![BU of 1dvj by Molmil](/molmil-images/mine/1dvj) | CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE COMPLEXED WITH 6-AZAUMP | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | Authors: | Wu, N, Mo, Y, Gao, J, Pai, E.F. | Deposit date: | 2000-03-30 | Release date: | 2000-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase. Proc.Natl.Acad.Sci.USA, 97, 2000
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3UM9
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![BU of 3um9 by Molmil](/molmil-images/mine/3um9) | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Bpro0530 | Descriptor: | Haloacid dehalogenase, type II, NICKEL (II) ION, ... | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-12 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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1DV7
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![BU of 1dv7 by Molmil](/molmil-images/mine/1dv7) | |
2P8L
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![BU of 2p8l by Molmil](/molmil-images/mine/2p8l) | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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2QKI
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![BU of 2qki by Molmil](/molmil-images/mine/2qki) | Human C3c in complex with the inhibitor compstatin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Complement C3, ... | Authors: | Janssen, B.J.C, Halff, E.F, Lambris, J.D, Gros, P. | Deposit date: | 2007-07-11 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of compstatin in complex with complement component C3c reveals a new mechanism of complement inhibition. J.Biol.Chem., 282, 2007
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3UMC
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![BU of 3umc by Molmil](/molmil-images/mine/3umc) | Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 | Descriptor: | CHLORIDE ION, SODIUM ION, haloacid dehalogenase | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-13 | Release date: | 2012-11-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UNI
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![BU of 3uni by Molmil](/molmil-images/mine/3uni) | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NADH Bound | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-HYDROXYBENZOIC ACID, CALCIUM ION, ... | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | Deposit date: | 2011-11-15 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase. J.Am.Chem.Soc., 134, 2012
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