8BIU
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![BU of 8biu by Molmil](/molmil-images/mine/8biu) | Cystathionine gamma-lyase in complex with cystathionine | Descriptor: | 2-KETOBUTYRIC ACID, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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6GH3
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![BU of 6gh3 by Molmil](/molmil-images/mine/6gh3) | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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6YZY
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6D5K
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![BU of 6d5k by Molmil](/molmil-images/mine/6d5k) | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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8SWJ
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![BU of 8swj by Molmil](/molmil-images/mine/8swj) | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 To be published
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6QU3
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![BU of 6qu3 by Molmil](/molmil-images/mine/6qu3) | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6GI2
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5HKK
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![BU of 5hkk by Molmil](/molmil-images/mine/5hkk) | Caldalaklibacillus thermarum F1-ATPase (wild type) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2016-01-14 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum. Proc.Natl.Acad.Sci.USA, 113, 2016
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5W38
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![BU of 5w38 by Molmil](/molmil-images/mine/5w38) | 1.80A resolution structure of human IgG3 Fc (N392K) | Descriptor: | CITRATE ANION, Immunoglobulin heavy constant gamma 3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Shah, I, Tolbert, T.J. | Deposit date: | 2017-06-07 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural characterization of the Man5 glycoform of human IgG3 Fc. Mol. Immunol., 92, 2017
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6R09
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![BU of 6r09 by Molmil](/molmil-images/mine/6r09) | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | Descriptor: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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8BB8
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6R0A
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![BU of 6r0a by Molmil](/molmil-images/mine/6r0a) | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6QUF
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![BU of 6quf by Molmil](/molmil-images/mine/6quf) | Protein crystallization by ionic liquid hydrogel support: reference crystal of glucose isomerase grown on standard silanized glass | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Caliandro, R. | Deposit date: | 2019-02-27 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes Crystals, 9, 2019
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6GG1
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![BU of 6gg1 by Molmil](/molmil-images/mine/6gg1) | Structure of PROSS-edited human interleukin 24 | Descriptor: | Interleukin-24, NICKEL (II) ION, SULFATE ION | Authors: | Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B. | Deposit date: | 2018-05-02 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1. Febs J., 286, 2019
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7Q0N
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![BU of 7q0n by Molmil](/molmil-images/mine/7q0n) | Arbitrium receptor from Katmira phage | Descriptor: | Arbitrium receptor, DNA (45-MER), SULFATE ION | Authors: | Gallego del Sol, F, Marina, A. | Deposit date: | 2021-10-15 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the mechanism of action of the arbitrium communication system in SPbeta phages. Nat Commun, 13, 2022
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8B43
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![BU of 8b43 by Molmil](/molmil-images/mine/8b43) | Crystal structure of ferrioxamine transporter | Descriptor: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone, FE (III) ION, Ferrichrome-iron receptor, ... | Authors: | Josts, I, Tidow, H. | Deposit date: | 2022-09-19 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Interactions of TonB-dependent transporter FoxA with siderophores and antibiotics that affect binding, uptake, and signal transduction. Proc.Natl.Acad.Sci.USA, 120, 2023
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5HMF
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6R0N
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![BU of 6r0n by Molmil](/molmil-images/mine/6r0n) | Histone fold domain of AtNF-YB2/NF-YC3 in I2 | Descriptor: | GLYCEROL, NF-YB2, NF-YC3 | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Bernardini, A, Fornara, F, Nardini, M, Mantovani, R. | Deposit date: | 2019-03-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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8BIV
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![BU of 8biv by Molmil](/molmil-images/mine/8biv) | Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii | Descriptor: | Cystathionine beta-lyase, putative, GLYCEROL, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8TBE
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![BU of 8tbe by Molmil](/molmil-images/mine/8tbe) | Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir | Descriptor: | 3C-like proteinase nsp5, Pomotrelvir bound form | Authors: | Olland, A, Fontano, E, White, A. | Deposit date: | 2023-06-28 | Release date: | 2023-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions. Antimicrob.Agents Chemother., 67, 2023
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6GG6
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![BU of 6gg6 by Molmil](/molmil-images/mine/6gg6) | Crystal structure of M2 PYK in complex with Serine. | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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7PGB
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![BU of 7pgb by Molmil](/molmil-images/mine/7pgb) | NaV_Ae1/Sp1CTD_pore-SAT09 complex | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-NITROBENZOIC ACID, ... | Authors: | Lolicato, M, Arrigoni, C. | Deposit date: | 2021-08-13 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat.Struct.Mol.Biol., 29, 2022
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6R0G
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![BU of 6r0g by Molmil](/molmil-images/mine/6r0g) | Getah virus macro domain in complex with ADPr, pose 2 | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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6GJI
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![BU of 6gji by Molmil](/molmil-images/mine/6gji) | Cyclophilin A complexed with the tri-vector ligand 8. | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6ZLB
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![BU of 6zlb by Molmil](/molmil-images/mine/6zlb) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol | Descriptor: | 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-06-30 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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