4Y85
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![BU of 4y85 by Molmil](/molmil-images/mine/4y85) | Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine | Descriptor: | 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 | Authors: | Gutmann, S, Hinniger, A. | Deposit date: | 2015-02-16 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold. J.Biol.Chem., 290, 2015
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5F9R
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5KJ5
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![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-17 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4YD5
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![BU of 4yd5 by Molmil](/molmil-images/mine/4yd5) | Endothiapepsin in complex with fragment 236 | Descriptor: | 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2015-02-20 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.209 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8P5V
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![BU of 8p5v by Molmil](/molmil-images/mine/8p5v) | Single particle cryo-EM structure of homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum in complex with the product succinyl-CoA | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ... | Authors: | Yang, L, Mechaly, A.M, Bellinzoni, M. | Deposit date: | 2023-05-24 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.07 Å) | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase. Nat Commun, 14, 2023
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6G32
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![BU of 6g32 by Molmil](/molmil-images/mine/6g32) | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | Deposit date: | 2018-03-24 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.281 Å) | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures. Mol. Pharmacol., 94, 2018
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8FDG
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8SIJ
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![BU of 8sij by Molmil](/molmil-images/mine/8sij) | Crystal structure of F. varium tryptophanase | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-16 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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7OUG
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![BU of 7oug by Molmil](/molmil-images/mine/7oug) | STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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7OUF
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![BU of 7ouf by Molmil](/molmil-images/mine/7ouf) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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7OUH
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![BU of 7ouh by Molmil](/molmil-images/mine/7ouh) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir | Descriptor: | Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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6SU5
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![BU of 6su5 by Molmil](/molmil-images/mine/6su5) | Ph2119 endolysin from Thermus scotoductus MAT2119 bacteriophage Ph2119 | Descriptor: | GLYCEROL, Lysozyme, PHOSPHATE ION, ... | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension. Int J Mol Sci, 21, 2020
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8HVQ
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![BU of 8hvq by Molmil](/molmil-images/mine/8hvq) | Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis | Descriptor: | 1,2-ETHANEDIOL, Cof-type HAD-IIB family hydrolase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kaur, H, Mahto, J.K, Kumar, P, Sharma, A.K. | Deposit date: | 2022-12-27 | Release date: | 2023-12-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Characterization of haloacid dehalogenase superfamily acid phosphatase from Staphylococcus lugdunensis. Arch.Biochem.Biophys., 753, 2024
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6G59
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![BU of 6g59 by Molmil](/molmil-images/mine/6g59) | Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative | Descriptor: | (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, Alanine racemase 1, CHLORIDE ION, ... | Authors: | Hoegl, A, Sieber, S.A, Schneider, S. | Deposit date: | 2018-03-29 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics. Nat Chem, 10, 2018
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6GE2
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![BU of 6ge2 by Molmil](/molmil-images/mine/6ge2) | exendin-4 based dual GLP-1/glucagon receptor agonist | Descriptor: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | Authors: | Evers, A, Kurz, M. | Deposit date: | 2018-04-25 | Release date: | 2018-06-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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4YE1
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![BU of 4ye1 by Molmil](/molmil-images/mine/4ye1) | A cytochrome c plus calixarene structure - alternative ligand binding mode | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ... | Authors: | Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B. | Deposit date: | 2015-02-23 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A cytochrome c-calixarene structure To Be Published
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6SVF
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![BU of 6svf by Molmil](/molmil-images/mine/6svf) | Crystal structure of the P235GK mutant of ArgBP from T. maritima | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | Authors: | Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A. | Deposit date: | 2019-09-18 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima. Acta Crystallogr.,Sect.F, 75, 2019
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5D2G
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6W8K
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![BU of 6w8k by Molmil](/molmil-images/mine/6w8k) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6YVP
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![BU of 6yvp by Molmil](/molmil-images/mine/6yvp) | Human histidine triad nucleotide-binding protein 2 (hHINT2) complexed with dGMP and refined to 2.77 A | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 2, mitochondrial | Authors: | Dolot, R.D, Krakowiak, A, Nawrot, B.C. | Deposit date: | 2020-04-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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5KKM
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![BU of 5kkm by Molmil](/molmil-images/mine/5kkm) | Con-Vc11-22 | Descriptor: | O2_contryphan_Vc1 prepropeptide | Authors: | Chittoor, B, Krishnarjuna, B, MacRaild, C.A, Robinson, S.D. | Deposit date: | 2016-06-22 | Release date: | 2017-05-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering. Biochemistry, 56, 2017
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7QQD
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![BU of 7qqd by Molmil](/molmil-images/mine/7qqd) | Nuclear factor one X - NFIX in P21 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NFI binding site (forward), NFI binding site (reverse), ... | Authors: | Lapi, M, Chaves-Sanjuan, A, Gourlay, L.J, Tiberi, M, Polentarutti, M, Demitri, N, Bais, G, Nardini, M. | Deposit date: | 2022-01-07 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nuclear factor one X - NFIX in P41212 To Be Published
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4Y3H
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5T5H
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![BU of 5t5h by Molmil](/molmil-images/mine/5t5h) | Structure and assembly model for the Trypanosoma cruzi 60S ribosomal subunit | Descriptor: | 40S ribosomal protein L14, 5.8S rRNA, 5S rRNA, ... | Authors: | Liu, Z, Gutierrez-Vargas, C, Wei, J, Grassucci, R.A, Ramesh, M, Espina, N, Sun, M, Tutuncuoglu, B, Madison-Antenucci, S, Woolford Jr, J.L, Tong, L, Frank, J. | Deposit date: | 2016-08-31 | Release date: | 2016-10-12 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Structure and assembly model for the Trypanosoma cruzi 60S ribosomal subunit. Proc.Natl.Acad.Sci.USA, 113, 2016
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6G7B
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![BU of 6g7b by Molmil](/molmil-images/mine/6g7b) | Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila. | Descriptor: | ImpA-related domain protein | Authors: | Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-04-05 | Release date: | 2018-11-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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