4L1T
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4L7F
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![BU of 4l7f by Molmil](/molmil-images/mine/4l7f) | Co-crystal Structure of JNK1 and AX13587 | Descriptor: | Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide | Authors: | Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R. | Deposit date: | 2013-06-13 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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7B1X
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![BU of 7b1x by Molmil](/molmil-images/mine/7b1x) | Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library | Descriptor: | esterase PMGL3 | Authors: | Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2020-11-25 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure. Biomolecules, 11, 2021
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7ARZ
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![BU of 7arz by Molmil](/molmil-images/mine/7arz) | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | Authors: | Goryaynova, D.A, Nikolaeva, A.Y, Pometun, A.A, Savin, S.S, Parshin, P.D, Popov, V.O, Tishkov, V.I, Boyko, K.M. | Deposit date: | 2020-10-26 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens To Be Published
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7APT
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![BU of 7apt by Molmil](/molmil-images/mine/7apt) | The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid | Descriptor: | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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4KY7
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4LDN
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4KZZ
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7AZ8
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![BU of 7az8 by Molmil](/molmil-images/mine/7az8) | DNA polymerase sliding clamp from Escherichia coli with peptide 43 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZD
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![BU of 7azd by Molmil](/molmil-images/mine/7azd) | DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZE
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![BU of 7aze by Molmil](/molmil-images/mine/7aze) | DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound | Descriptor: | Beta sliding clamp, GLYCEROL, MALONATE ION, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZC
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![BU of 7azc by Molmil](/molmil-images/mine/7azc) | DNA polymerase sliding clamp from Escherichia coli with peptide 22 bound | Descriptor: | Beta sliding clamp, GLYCEROL, Peptide 22 | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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4LGY
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![BU of 4lgy by Molmil](/molmil-images/mine/4lgy) | Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | Deposit date: | 2013-06-30 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis Plos One, 8, 2013
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4KVH
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![BU of 4kvh by Molmil](/molmil-images/mine/4kvh) | Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 | Descriptor: | BROMIDE ION, CACODYLATE ION, FORMIC ACID, ... | Authors: | Chang, C, Holowicki, J, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-22 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 To be Published
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4L9T
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4LEC
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![BU of 4lec by Molmil](/molmil-images/mine/4lec) | Human Methyltransferase-Like Protein 21A | Descriptor: | Protein-lysine methyltransferase METTL21A, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | Authors: | Dong, A, Zeng, H, Fenner, M, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The Crystal Structure of Human Methyltransferase-Like Protein 21A in Complex with SAH To be Published
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4LEL
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![BU of 4lel by Molmil](/molmil-images/mine/4lel) | Crystal Structure of Frameshift Suppressor tRNA SufA6 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: | 2013-06-25 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.90000033 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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4LCK
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4LLN
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![BU of 4lln by Molmil](/molmil-images/mine/4lln) | Crystal structure of S. aureus MepR-DNA complex | Descriptor: | MepR, Palindromized mepR operator sequence | Authors: | Birukou, I, Brennan, R.G. | Deposit date: | 2013-07-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.842 Å) | Cite: | Structural mechanism of transcription regulation of the Staphylococcus aureus multidrug efflux operon mepRA by the MarR family repressor MepR. Nucleic Acids Res., 42, 2014
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4LMF
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![BU of 4lmf by Molmil](/molmil-images/mine/4lmf) | C1s CUB1-EGF-CUB2 | Descriptor: | CALCIUM ION, Complement C1s subcomponent heavy chain, SODIUM ION | Authors: | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | Deposit date: | 2013-07-10 | Release date: | 2013-08-07 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.921 Å) | Cite: | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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7B3U
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![BU of 7b3u by Molmil](/molmil-images/mine/7b3u) | OXA-10 beta-lactamase with covalent modification | Descriptor: | Beta-lactamase OXA-10, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-12-01 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3S
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![BU of 7b3s by Molmil](/molmil-images/mine/7b3s) | OXA-10 beta-lactamase with S67Dha modification | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SODIUM ION, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-12-01 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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4LCN
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![BU of 4lcn by Molmil](/molmil-images/mine/4lcn) | Crytsal structure of NE0047 in complex with 2'-DEOXY-GUANOSINE | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-GUANOSINE, Cytidine and deoxycytidylate deaminase zinc-binding region, ... | Authors: | Anand, R, Bitra, A, Biswas, A. | Deposit date: | 2013-06-22 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase Biochemistry, 52, 2013
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4LD4
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![BU of 4ld4 by Molmil](/molmil-images/mine/4ld4) | Crystal structure of NE0047 in complex with cytosine | Descriptor: | 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | Authors: | Bitra, A, Biswas, A, Anand, R. | Deposit date: | 2013-06-24 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase Biochemistry, 52, 2013
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4LLI
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