4LU9
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![BU of 4lu9 by Molmil](/molmil-images/mine/4lu9) | Crystal structure of E.coli SbcD at 2.5 angstrom resolution | Descriptor: | Exonuclease subunit SbcD, GLYCEROL | Authors: | Liu, S, Tian, L.F, Yan, X.X, Liang, D.C. | Deposit date: | 2013-07-25 | Release date: | 2014-08-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair. Acta Crystallogr.,Sect.D, 70, 2014
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4GXV
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![BU of 4gxv by Molmil](/molmil-images/mine/4gxv) | Crystal structure of anti-influenza virus antibody 1F1 | Descriptor: | Antibody 1F1, heavy chain, light chain | Authors: | Ekiert, D.C, Wilson, I.A. | Deposit date: | 2012-09-04 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses. Plos Pathog., 8, 2012
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4H9S
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![BU of 4h9s by Molmil](/molmil-images/mine/4h9s) | Complex structure 6 of DAXX/H3.3(sub7)/H4 | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | Authors: | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | Deposit date: | 2012-09-24 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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4I9U
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![BU of 4i9u by Molmil](/molmil-images/mine/4i9u) | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4G8D
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![BU of 4g8d by Molmil](/molmil-images/mine/4g8d) | |
4GGL
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![BU of 4ggl by Molmil](/molmil-images/mine/4ggl) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | Authors: | Bensen, D.C, Creighton, C.J, Tari, L.W. | Deposit date: | 2012-08-06 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4GXX
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![BU of 4gxx by Molmil](/molmil-images/mine/4gxx) | Crystal structure of the "avianized" 1918 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Ekiert, D.C, Wilson, I.A. | Deposit date: | 2012-09-04 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses. Plos Pathog., 8, 2012
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4H9O
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![BU of 4h9o by Molmil](/molmil-images/mine/4h9o) | Complex structure 2 of DAXX/H3.3(sub5,G90M)/H4 | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | Authors: | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | Deposit date: | 2012-09-24 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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4MRV
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![BU of 4mrv by Molmil](/molmil-images/mine/4mrv) | Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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4H9R
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![BU of 4h9r by Molmil](/molmil-images/mine/4h9r) | Complex structure 5 of DAXX(E225A)/H3.3(sub5,G90A)/H4 | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | Authors: | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | Deposit date: | 2012-09-24 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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4H9Q
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![BU of 4h9q by Molmil](/molmil-images/mine/4h9q) | Complex structure 4 of DAXX(E225A)/H3.3(sub5)/H4 | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | Authors: | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | Deposit date: | 2012-09-24 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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4KFG
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![BU of 4kfg by Molmil](/molmil-images/mine/4kfg) | The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor. | Descriptor: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, SULFATE ION | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-26 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
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4MRP
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![BU of 4mrp by Molmil](/molmil-images/mine/4mrp) | Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, GLUTATHIONE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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4KT8
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![BU of 4kt8 by Molmil](/molmil-images/mine/4kt8) | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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4H9N
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![BU of 4h9n by Molmil](/molmil-images/mine/4h9n) | Complex structure 1 of DAXX/H3.3(sub5)/H4 | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | Authors: | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | Deposit date: | 2012-09-24 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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4HCT
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![BU of 4hct by Molmil](/molmil-images/mine/4hct) | Crystal structure of ITK in complex with compound 52 | Descriptor: | 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK | Authors: | Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G. | Deposit date: | 2012-10-01 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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4M6K
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![BU of 4m6k by Molmil](/molmil-images/mine/4m6k) | Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate | Descriptor: | Dihydrofolate reductase, FOLIC ACID, GLYCEROL, ... | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | Deposit date: | 2013-08-09 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase. Nat.Struct.Mol.Biol., 20, 2013
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4HW9
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![BU of 4hw9 by Molmil](/molmil-images/mine/4hw9) | Crystal Structure of Helicobacter pylori MscS (Closed State) | Descriptor: | Mechanosensitive channel MscS | Authors: | Lai, J.Y, Poon, Y.S, Kaiser, J, Rees, D.C. | Deposit date: | 2012-11-07 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.14 Å) | Cite: | Open and shut: crystal structures of the dodecylmaltoside solubilized mechanosensitive channel of small conductance from Escherichia coli and Helicobacter pylori at 4.4 angstrom and 4.1 angstrom resolutions. Protein Sci., 22, 2013
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4I9N
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![BU of 4i9n by Molmil](/molmil-images/mine/4i9n) | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4HXZ
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![BU of 4hxz by Molmil](/molmil-images/mine/4hxz) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HXW
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![BU of 4hxw by Molmil](/molmil-images/mine/4hxw) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Trzoss, M, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HYM
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![BU of 4hym by Molmil](/molmil-images/mine/4hym) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | Deposit date: | 2012-11-13 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4ND8
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![BU of 4nd8 by Molmil](/molmil-images/mine/4nd8) | Av Nitrogenase MoFe Protein High pH Form | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Yang, K.-Y, Haynes, C.A, Spatzal, T, Rees, D.C, Howard, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Turnover-Dependent Inactivation of the Nitrogenase MoFe-Protein at High pH. Biochemistry, 53, 2014
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4NNU
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![BU of 4nnu by Molmil](/molmil-images/mine/4nnu) | Distinct structural features of TFAM drive mitochondrial DNA packaging versus transcriptional activation | Descriptor: | DNA1, DNA2, Transcription factor A, ... | Authors: | Ngo, H.B, Lovely, G.A, Phillips, R, Chan, D.C. | Deposit date: | 2013-11-19 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Distinct structural features of TFAM drive mitochondrial DNA packaging versus transcriptional activation. Nat Commun, 5, 2014
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4JY6
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![BU of 4jy6 by Molmil](/molmil-images/mine/4jy6) | Crystal structure of human Fab PGT123, a broadly reactive and potent HIV-1 neutralizing antibody | Descriptor: | GLYCEROL, PGT123 heavy chain, PGT123 light chain, ... | Authors: | Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A. | Deposit date: | 2013-03-29 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Broadly Neutralizing Antibody PGT121 Allosterically Modulates CD4 Binding via Recognition of the HIV-1 gp120 V3 Base and Multiple Surrounding Glycans. Plos Pathog., 9, 2013
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