5A62
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![BU of 5a62 by Molmil](/molmil-images/mine/5a62) | Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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4FBM
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![BU of 4fbm by Molmil](/molmil-images/mine/4fbm) | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | BROMIDE ION, LipS lipolytic enzyme | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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4FBL
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![BU of 4fbl by Molmil](/molmil-images/mine/4fbl) | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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3S4P
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![BU of 3s4p by Molmil](/molmil-images/mine/3s4p) | Crystal structure of the bacterial ribosomal decoding site complexed with an amphiphilic paromomycin O2''-ether analogue | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Szychowski, J, Kondo, J, Zahr, O, Auclair, K, Westhof, E, Hanessian, S, Keillor, J.W. | Deposit date: | 2011-05-20 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Inhibition of aminoglycoside-deactivating enzymes APH(3')-IIIa and AAC(6')-Ii by amphiphilic paromomycin O2''-ether analogues Chemmedchem, 6, 2011
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7PZJ
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![BU of 7pzj by Molmil](/molmil-images/mine/7pzj) | Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | Descriptor: | Lipase, POTASSIUM ION | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | Deposit date: | 2021-10-12 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity. Front Microbiol, 12, 2021
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2PUW
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![BU of 2puw by Molmil](/molmil-images/mine/2puw) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, isomerase domain of glutamine-fructose-6-phosphate transaminase (isomerizing) | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-05-09 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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2PUV
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![BU of 2puv by Molmil](/molmil-images/mine/2puv) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | 5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL, ACETATE ION, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-05-09 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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2PUT
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![BU of 2put by Molmil](/molmil-images/mine/2put) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | ACETATE ION, FRUCTOSE -6-PHOSPHATE, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-05-09 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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2PWT
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![BU of 2pwt by Molmil](/molmil-images/mine/2pwt) | Crystal structure of the bacterial ribosomal decoding site complexed with aminoglycoside containing the L-HABA group | Descriptor: | 22-mer of the ribosomal decoding site, DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162 | Authors: | Kondo, J, Pachamuthu, K, Francois, B, Szychowski, J, Hanessian, S, Westhof, E. | Deposit date: | 2007-05-13 | Release date: | 2007-09-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Bacterial Ribosomal Decoding Site Complexed with a Synthetic Doubly Functionalized Paromomycin Derivative: a New Specific Binding Mode to an A-Minor Motif Enhances in vitro Antibacterial Activity Chemmedchem, 2, 2007
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2POC
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![BU of 2poc by Molmil](/molmil-images/mine/2poc) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, ACETATE ION, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-04-26 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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3TTI
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![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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8D6E
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![BU of 8d6e by Molmil](/molmil-images/mine/8d6e) | Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | Descriptor: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8D6D
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![BU of 8d6d by Molmil](/molmil-images/mine/8d6d) | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | Descriptor: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8D6F
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![BU of 8d6f by Molmil](/molmil-images/mine/8d6f) | Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 | Descriptor: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8D6C
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![BU of 8d6c by Molmil](/molmil-images/mine/8d6c) | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | Descriptor: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8G0M
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![BU of 8g0m by Molmil](/molmil-images/mine/8g0m) | Structure of complex between TV6.6 and CD98hc ECD | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ... | Authors: | Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C. | Deposit date: | 2023-01-31 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CD98hc is a target for brain delivery of biotherapeutics. Nat Commun, 14, 2023
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8B4U
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![BU of 8b4u by Molmil](/molmil-images/mine/8b4u) | The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ... | Authors: | Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J. | Deposit date: | 2022-09-21 | Release date: | 2023-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate. Commun Chem, 6, 2023
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8A2C
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![BU of 8a2c by Molmil](/molmil-images/mine/8a2c) | The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET). Febs J., 291, 2024
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6HRG
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![BU of 6hrg by Molmil](/molmil-images/mine/6hrg) | Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I | Descriptor: | PHOSPHATE ION, POTASSIUM ION, UPF0173 metal-dependent hydrolase Igni_1254, ... | Authors: | Smits, S.H, Streit, W.R, Jaeger, K.E, Hoeppner, A. | Deposit date: | 2018-09-26 | Release date: | 2019-10-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family. Commun Biol, 4, 2021
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7Z6B
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![BU of 7z6b by Molmil](/molmil-images/mine/7z6b) | |
7ALZ
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![BU of 7alz by Molmil](/molmil-images/mine/7alz) | GqqA- a novel type of quorum quenching acylases | Descriptor: | PHENYLALANINE, Prephenate dehydratase | Authors: | Werner, N, Betzel, C. | Deposit date: | 2020-10-07 | Release date: | 2021-08-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity. Sci Rep, 11, 2021
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7AM0
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![BU of 7am0 by Molmil](/molmil-images/mine/7am0) | GqqA- a novel type of quorum quenching acylases | Descriptor: | PHENYLALANINE, Prephenate dehydratase | Authors: | Werner, N, Betzel, C. | Deposit date: | 2020-10-07 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity. Sci Rep, 11, 2021
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3P0B
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![BU of 3p0b by Molmil](/molmil-images/mine/3p0b) | |
2BE0
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![BU of 2be0 by Molmil](/molmil-images/mine/2be0) | Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site. | Descriptor: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | Authors: | Francois, B, Westhof, E. | Deposit date: | 2005-10-21 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site ANGEW.CHEM.INT.ED.ENGL., 43, 2004
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2BEE
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![BU of 2bee by Molmil](/molmil-images/mine/2bee) | Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site | Descriptor: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | Authors: | Francois, B, Westhof, E. | Deposit date: | 2005-10-24 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site ANGEW.CHEM.INT.ED.ENGL., 43, 2004
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