2JTX
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5AII
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![BU of 5aii by Molmil](/molmil-images/mine/5aii) | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | 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 (1.47 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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8UQT
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![BU of 8uqt by Molmil](/molmil-images/mine/8uqt) | Crystal structure of the Tree Shrew p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53, SULFATE ION | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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8UQS
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![BU of 8uqs by Molmil](/molmil-images/mine/8uqs) | Crystal structure of the Opossum p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53 (Fragment) | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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8UQR
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![BU of 8uqr by Molmil](/molmil-images/mine/8uqr) | Crystal structure of the human p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53 | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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6CD7
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![BU of 6cd7 by Molmil](/molmil-images/mine/6cd7) | Crystal structure of APH(2")-IVa in complex with plazomicin | Descriptor: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, APH(2'')-Id, CHLORIDE ION | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Di Leo, R, Savchenko, A, Satchell, K.J, Joachimiak, J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-02-08 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes. ACS Infect Dis, 4, 2018
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2G8G
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![BU of 2g8g by Molmil](/molmil-images/mine/2g8g) | Structurally mapping the diverse phenotype of Adeno-Associated Virus serotype 4 | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid | Authors: | Govindasamy, L, Padron, E, McKenna, R, Muzyczka, N, Chiorini, J.A, Agbandje-McKenna, M. | Deposit date: | 2006-03-02 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structurally mapping the diverse phenotype of adeno-associated virus serotype 4. J.Virol., 80, 2006
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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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4H9P
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![BU of 4h9p by Molmil](/molmil-images/mine/4h9p) | Complex structure 3 of DAXX/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 (2.198 Å) | Cite: | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out To be Published
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1NFD
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![BU of 1nfd by Molmil](/molmil-images/mine/1nfd) | AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H57 FAB, N15 ALPHA-BETA T-CELL RECEPTOR | Authors: | Wang, J.-H, Lim, K, Smolyar, A, Teng, M.-K, Sacchittini, J, Reinherz, E.L. | Deposit date: | 1997-08-04 | Release date: | 1998-01-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody. EMBO J., 17, 1998
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7WMP
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![BU of 7wmp by Molmil](/molmil-images/mine/7wmp) | Tail structure of Helicobacter pylori bacteriophage KHP30 | Descriptor: | Adaptor protein gp12, Nozzle protein gp25, Portal protein | Authors: | Kamiya, R, Uchiyama, J, Matsuzaki, S, Murata, K, Iwasaki, K, Miyazaki, N. | Deposit date: | 2022-01-15 | Release date: | 2023-03-01 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of Helicobacter pylori bacteriophage KHP30 To Be Published
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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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2L8B
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![BU of 2l8b by Molmil](/molmil-images/mine/2l8b) | TraI (381-569) | Descriptor: | Protein traI | Authors: | Wright, N.T, Raththagala, M.U, Edwards, S, Krueger, S, Schildbach, J.F. | Deposit date: | 2011-01-07 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and small angle scattering analysis of TraI (381-569). Proteins, 80, 2012
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5LWR
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![BU of 5lwr by Molmil](/molmil-images/mine/5lwr) | Endothiapepsin in complex with a derivative of fragment 177 | Descriptor: | 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ... | Authors: | Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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5AIH
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![BU of 5aih by Molmil](/molmil-images/mine/5aih) | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-Native | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, 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 (1.42 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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8AGS
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![BU of 8ags by Molmil](/molmil-images/mine/8ags) | Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site | Descriptor: | 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGN
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![BU of 8agn by Molmil](/molmil-images/mine/8agn) | Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGM
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![BU of 8agm by Molmil](/molmil-images/mine/8agm) | Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGP
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![BU of 8agp by Molmil](/molmil-images/mine/8agp) | Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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5MR0
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![BU of 5mr0 by Molmil](/molmil-images/mine/5mr0) | Thermophilic archaeal branched-chain amino acid transaminases from Geoglobus acetivorans and Archaeoglobus fulgidus: biochemical and structural characterisation | Descriptor: | 1,2-ETHANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, CHLORIDE ION, ... | Authors: | Isupov, M.N, Littlechild, J.A, James, P, Sayer, C, Sutter, J.M, Schmidt, M, Schoenheit, P. | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Thermostable Branched-Chain Amino Acid Transaminases From the ArchaeaGeoglobus acetivoransandArchaeoglobus fulgidus: Biochemical and Structural Characterization. Front Bioeng Biotechnol, 7, 2019
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5FN0
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![BU of 5fn0 by Molmil](/molmil-images/mine/5fn0) | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | Authors: | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | Deposit date: | 2015-11-10 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis. Nat.Med. (N.Y.), 22, 2016
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5MLH
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![BU of 5mlh by Molmil](/molmil-images/mine/5mlh) | Plantago Major multifunctional oxidoreductase in complex with 8-oxogeranial and NADP+ | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, CALCIUM ION, GLYCEROL, ... | Authors: | Fellows, R, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | Deposit date: | 2016-12-06 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
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5MLR
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![BU of 5mlr by Molmil](/molmil-images/mine/5mlr) | Plantago Major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+ | Descriptor: | CHLORIDE ION, Geranaldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Fellows, R, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | Deposit date: | 2016-12-07 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
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6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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5Y5N
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![BU of 5y5n by Molmil](/molmil-images/mine/5y5n) | Crystal structure of human Sirtuin 2 in complex with a selective inhibitor | Descriptor: | 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. | Deposit date: | 2017-08-09 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site. Chem Sci, 8, 2017
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