4JF2
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7LW9
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![BU of 7lw9 by Molmil](/molmil-images/mine/7lw9) | Human Exonuclease 5 crystal structure in complex with ssDNA, Sm, and Na | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*AP*TP*TP*GP*CP*TP*GP*AP*AP*GP*GP*G)-3'), ... | Authors: | Tsai, C.L, Tainer, J.A. | Deposit date: | 2021-02-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart. Mol.Cell, 81, 2021
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4JG1
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![BU of 4jg1 by Molmil](/molmil-images/mine/4jg1) | Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr peptide | Descriptor: | Fab heavy chain, Fab light chain, PROPANOIC ACID, ... | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
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7LW8
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![BU of 7lw8 by Molmil](/molmil-images/mine/7lw8) | Human Exonuclease 5 crystal structure in complex with a ssDNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ... | Authors: | Tsai, C.L, Tainer, J.A. | Deposit date: | 2021-02-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart. Mol.Cell, 81, 2021
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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5A9J
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![BU of 5a9j by Molmil](/molmil-images/mine/5a9j) | Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form | Descriptor: | DNA POLYMERASE THETA | Authors: | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2015-07-21 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway. Structure, 23, 2015
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5AIF
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![BU of 5aif by Molmil](/molmil-images/mine/5aif) | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample-Native | Descriptor: | IMIDAZOLE, LIMONENE-1,2-EPOXIDE HYDROLASE | Authors: | Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries FEBS J., 282, 2015
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4M1Y
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![BU of 4m1y by Molmil](/molmil-images/mine/4m1y) | Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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2A8J
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5A9F
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![BU of 5a9f by Molmil](/molmil-images/mine/5a9f) | Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA POLYMERASE THETA, MAGNESIUM ION, ... | Authors: | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2015-07-21 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway. Structure, 23, 2015
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7MLQ
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![BU of 7mlq by Molmil](/molmil-images/mine/7mlq) | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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4LSK
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![BU of 4lsk by Molmil](/molmil-images/mine/4lsk) | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCG-G on the Ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | Deposit date: | 2013-07-22 | Release date: | 2014-08-06 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (3.48000622 Å) | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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7MLS
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![BU of 7mls by Molmil](/molmil-images/mine/7mls) | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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1NIW
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![BU of 1niw by Molmil](/molmil-images/mine/1niw) | Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ... | Authors: | Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-12-26 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for endothelial nitric oxide synthase binding to calmodulin Embo J., 22, 2003
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4LTZ
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![BU of 4ltz by Molmil](/molmil-images/mine/4ltz) | F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-24 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LUU
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![BU of 4luu by Molmil](/molmil-images/mine/4luu) | V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-25 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LXC
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![BU of 4lxc by Molmil](/molmil-images/mine/4lxc) | The antimicrobial peptidase lysostaphin from Staphylococcus simulans | Descriptor: | Lysostaphin, SULFATE ION, ZINC ION | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | Deposit date: | 2013-07-29 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. Febs J., 281, 2014
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4LXW
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![BU of 4lxw by Molmil](/molmil-images/mine/4lxw) | L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-30 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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5C7U
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![BU of 5c7u by Molmil](/molmil-images/mine/5c7u) | 5'-monophosphate wt Guanine Riboswitch bound to hypoxanthine. | Descriptor: | 5'-monophosphate wt guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE | Authors: | Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair. Angew.Chem.Int.Ed.Engl., 54, 2015
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2B4X
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1NBQ
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![BU of 1nbq by Molmil](/molmil-images/mine/1nbq) | Crystal Structure of Human Junctional Adhesion Molecule Type 1 | Descriptor: | Junctional adhesion molecule 1 | Authors: | Prota, A.E, Campbell, J.A, Schelling, P, Forrest, J.C, Watson, M.J, Peters, T.R, Aurrand-Lions, M, Imhof, B.A, Dermody, T.S, Stehle, T. | Deposit date: | 2002-12-03 | Release date: | 2003-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human junctional adhesion molecule 1: Implications for reovirus binding Proc.Natl.Acad.Sci.USA, 100, 2003
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7MRX
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2AKL
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![BU of 2akl by Molmil](/molmil-images/mine/2akl) | Solution structure for phn-A like protein PA0128 from Pseudomonas aeruginosa | Descriptor: | ZINC ION, phnA-like protein pa0128 | Authors: | Srisailam, S, Yee, A, Lemak, A, Lukin, J.A, Bansal, S, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2005-08-03 | Release date: | 2006-07-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa J.Biomol.Nmr, 36, 2006
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7M49
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![BU of 7m49 by Molmil](/molmil-images/mine/7m49) | DNA Polymerase Lambda, TTP:At Mn2+ Reaction State Ternary Complex, 5 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4B
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![BU of 7m4b by Molmil](/molmil-images/mine/7m4b) | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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