7T2P
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6W23
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![BU of 6w23 by Molmil](/molmil-images/mine/6w23) | ClpA Disengaged State bound to RepA-GFP (Focused Classification) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | Deposit date: | 2020-03-04 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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5NMA
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![BU of 5nma by Molmil](/molmil-images/mine/5nma) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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8I67
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![BU of 8i67 by Molmil](/molmil-images/mine/8i67) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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6PXQ
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![BU of 6pxq by Molmil](/molmil-images/mine/6pxq) | Crystal structure of human thrombin mutant D194A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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5NBJ
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![BU of 5nbj by Molmil](/molmil-images/mine/5nbj) | DLS Tetragonal - ReHEWL | Descriptor: | CHLORIDE ION, Lysozyme C, RHENIUM, ... | Authors: | Brink, A, Helliwell, J.R. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.266 Å) | Cite: | New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. IUCrJ, 4, 2017
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6NSL
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![BU of 6nsl by Molmil](/molmil-images/mine/6nsl) | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | Descriptor: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Muckelbauer, J.M, Khan, J.A. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors. Acs Med.Chem.Lett., 10, 2019
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8I61
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![BU of 8i61 by Molmil](/molmil-images/mine/8i61) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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6ZZO
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![BU of 6zzo by Molmil](/molmil-images/mine/6zzo) | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate | Descriptor: | ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | Deposit date: | 2020-08-04 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry. Acs Catalysis, 10, 2020
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8I69
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![BU of 8i69 by Molmil](/molmil-images/mine/8i69) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8UK7
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8UPI
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![BU of 8upi by Molmil](/molmil-images/mine/8upi) | Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine | Descriptor: | 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ... | Authors: | Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J. | Deposit date: | 2023-10-22 | Release date: | 2023-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides. Biochemistry, 63, 2024
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8I6B
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![BU of 8i6b by Molmil](/molmil-images/mine/8i6b) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8DBT
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![BU of 8dbt by Molmil](/molmil-images/mine/8dbt) | E. coli ATP synthase imaged in 10mM MgATP State2 "down | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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7AAH
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![BU of 7aah by Molmil](/molmil-images/mine/7aah) | Structure of human pERp1 | Descriptor: | CITRIC ACID, Marginal zone B- and B1-cell-specific protein | Authors: | Sowa, S.T, Moilanen, A, Biterova, E, Saaranen, M.J, Lehtio, L, Ruddock, L.W. | Deposit date: | 2020-09-04 | Release date: | 2021-01-27 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution Crystal Structure of Human pERp1, A Saposin-like Protein Involved in IgA, IgM and Integrin Maturation in the Endoplasmic Reticulum. J.Mol.Biol., 433, 2021
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8I63
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![BU of 8i63 by Molmil](/molmil-images/mine/8i63) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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5NMW
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![BU of 5nmw by Molmil](/molmil-images/mine/5nmw) | Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, MAGNESIUM ION | Authors: | Scheidig, A, Kubitza, C, Faust, A, Ober, D. | Deposit date: | 2017-04-07 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of pyrrolizidine alkaloid N-oxygenase from the grasshopper Zonocerus variegatus. Acta Crystallogr D Struct Biol, 74, 2018
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8I62
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![BU of 8i62 by Molmil](/molmil-images/mine/8i62) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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5LRS
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![BU of 5lrs by Molmil](/molmil-images/mine/5lrs) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione and a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), GLUTATHIONE, Listeriolysin positive regulatory factor A | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8I65
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![BU of 8i65 by Molmil](/molmil-images/mine/8i65) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I66
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![BU of 8i66 by Molmil](/molmil-images/mine/8i66) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8DBP
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![BU of 8dbp by Molmil](/molmil-images/mine/8dbp) | E. coli ATP synthase imaged in 10mM MgATP State1 "half-up | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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8I6A
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![BU of 8i6a by Molmil](/molmil-images/mine/8i6a) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III | Descriptor: | 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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6Y4R
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![BU of 6y4r by Molmil](/molmil-images/mine/6y4r) | Cytoplasmic domain of TssL from Acinetobacter baumannii | Descriptor: | DotU family type IV/VI secretion system protein | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2020-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Structural Characterization of TssL from Acinetobacter baumannii: a Key Component of the Type VI Secretion System. J.Bacteriol., 202, 2020
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8DBS
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![BU of 8dbs by Molmil](/molmil-images/mine/8dbs) | |