4HMM
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![BU of 4hmm by Molmil](/molmil-images/mine/4hmm) | Crystal structure of mutant rabbit PRP 121-230 (S174N) | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | Deposit date: | 2012-10-18 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | N-Terminal Helix-Cap in alpha-Helix 2 Modulates beta-State Misfolding in Rabbit and Hamster Prion Proteins. Plos One, 8, 2013
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4HLS
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![BU of 4hls by Molmil](/molmil-images/mine/4hls) | Crystal structure of mutant rabbit PRP 121-230 (S170N) | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | Deposit date: | 2012-10-17 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | N-Terminal Helix-Cap in alpha-Helix 2 Modulates beta-State Misfolding in Rabbit and Hamster Prion Proteins. Plos One, 8, 2013
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2HTF
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![BU of 2htf by Molmil](/molmil-images/mine/2htf) | The solution structure of the BRCT domain from human polymerase reveals homology with the TdT BRCT domain | Descriptor: | DNA polymerase mu | Authors: | DeRose, E.F, Clarkson, M.W, Gilmore, S.A, Ramsden, D.A, Mueller, G.A, London, R.E, Lee, A.L. | Deposit date: | 2006-07-25 | Release date: | 2007-02-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of polymerase mu's BRCT Domain reveals an element essential for its role in nonhomologous end joining. Biochemistry, 46, 2007
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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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4HIB
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![BU of 4hib by Molmil](/molmil-images/mine/4hib) | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH | Descriptor: | CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | Deposit date: | 2012-10-11 | Release date: | 2012-11-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
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2HN1
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![BU of 2hn1 by Molmil](/molmil-images/mine/2hn1) | |
4HMR
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![BU of 4hmr by Molmil](/molmil-images/mine/4hmr) | Crystal structure of mutant rabbit PRP 121-230 (S170N/S174N) | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | Deposit date: | 2012-10-18 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | N-Terminal Helix-Cap in alpha-Helix 2 Modulates beta-State Misfolding in Rabbit and Hamster Prion Proteins. Plos One, 8, 2013
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4HIH
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![BU of 4hih by Molmil](/molmil-images/mine/4hih) | Anti-Streptococcus pneumoniae 23F Fab 023.102 with bound rhamnose. | Descriptor: | Antibody 023.102, Fab 023.102, alpha-L-rhamnopyranose | Authors: | Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Schrader, J.W, Pai, E.F. | Deposit date: | 2012-10-11 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. J. Immunol., 196, 2016
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2IDO
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![BU of 2ido by Molmil](/molmil-images/mine/2ido) | Structure of the E. coli Pol III epsilon-Hot proofreading complex | Descriptor: | 1,2-ETHANEDIOL, DNA polymerase III epsilon subunit, Hot protein, ... | Authors: | Kirby, T.W, Harvey, S, DeRose, E.F, Chalov, S, Chikova, A.K, Perrino, F.W, Schaaper, R.M, London, R.E, Pedersen, L.C. | Deposit date: | 2006-09-15 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Escherichia coli DNA polymerase III epsilon-HOT proofreading complex. J.Biol.Chem., 281, 2006
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3NTS
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![BU of 3nts by Molmil](/molmil-images/mine/3nts) | |
3NTV
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![BU of 3ntv by Molmil](/molmil-images/mine/3ntv) | Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus | Descriptor: | MW1564 protein, SULFATE ION | Authors: | Qiu, W, Lam, R, Romanov, V, Jones, K, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-07-05 | Release date: | 2011-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus TO BE PUBLISHED
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3Q16
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![BU of 3q16 by Molmil](/molmil-images/mine/3q16) | |
3PQR
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![BU of 3pqr by Molmil](/molmil-images/mine/3pqr) | Crystal structure of Metarhodopsin II in complex with a C-terminal peptide derived from the Galpha subunit of transducin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, ... | Authors: | Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P. | Deposit date: | 2010-11-26 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of metarhodopsin II. Nature, 471, 2011
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3PTG
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![BU of 3ptg by Molmil](/molmil-images/mine/3ptg) | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | Deposit date: | 2010-12-02 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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3O79
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![BU of 3o79 by Molmil](/molmil-images/mine/3o79) | Crystal Structure of Wild-type Rabbit PrP 126-230 | Descriptor: | CHLORIDE ION, GLYCEROL, Rabbit PrP, ... | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | Deposit date: | 2010-07-30 | Release date: | 2010-11-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP. Proc.Natl.Acad.Sci.USA, 107, 2010
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3P8K
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![BU of 3p8k by Molmil](/molmil-images/mine/3p8k) | Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-10-14 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus To be Published
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3R3U
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![BU of 3r3u by Molmil](/molmil-images/mine/3r3u) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3QBR
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![BU of 3qbr by Molmil](/molmil-images/mine/3qbr) | BakBH3 in complex with sjA | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | Authors: | Lee, E.F, Clarke, O.B, Fairlie, W.D, Colman, P.M, Evangelista, M, Feng, Z, Speed, T.P, Tchoubrieva, E, Strasser, A, Kalinna, B. | Deposit date: | 2011-01-13 | Release date: | 2011-04-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Discovery and molecular characterization of a Bcl-2-regulated cell death pathway in schistosomes. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R41
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![BU of 3r41 by Molmil](/molmil-images/mine/3r41) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-17 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3PM0
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![BU of 3pm0 by Molmil](/molmil-images/mine/3pm0) | |
3PXO
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![BU of 3pxo by Molmil](/molmil-images/mine/3pxo) | Crystal structure of Metarhodopsin II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ... | Authors: | Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P. | Deposit date: | 2010-12-10 | Release date: | 2011-03-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of metarhodopsin II. Nature, 471, 2011
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3R3W
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![BU of 3r3w by Molmil](/molmil-images/mine/3r3w) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3R3V
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![BU of 3r3v by Molmil](/molmil-images/mine/3r3v) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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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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3NUR
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![BU of 3nur by Molmil](/molmil-images/mine/3nur) | Crystal structure of a putative amidohydrolase from Staphylococcus aureus | Descriptor: | Amidohydrolase, CALCIUM ION | Authors: | Qiu, W, Lam, R, Romanov, V, Lam, K, Soloveychik, M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-07-07 | Release date: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative amidohydrolase from Staphylococcus aureus To be Published
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