6OE7
 
 | | Crystal structure of HMCES cross-linked to DNA abasic site | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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6UUL
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, D5 Fab Heavy Chain, ... | | Authors: | Kumar, S, Wilson, I.A. | | Deposit date: | 2019-10-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
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6MDQ
 | | Crystal structure of equine serum albumin in complex with testosterone | | Descriptor: | CITRATE ANION, Serum albumin, TESTOSTERONE | | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-09-05 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins.
Chem Sci, 10, 2019
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6UX3
 | | Crystal structure of acetoin dehydrogenase from Enterobacter cloacae | | Descriptor: | Acetoin dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Chang, C, Skarina, T, Mesa, N, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-11-06 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Crystal structure of acetoin dehydrogenase from Enterobacter cloacae
To Be Published
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8TA6
 | | Cryo-EM structure of the human CLC-2 chloride channel C-terminal domain | | Descriptor: | Chloride channel protein 2 | | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | | Deposit date: | 2023-06-26 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
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4XBI
 | | Structure Of A Malarial Protein Involved in Proteostasis | | Descriptor: | ClpB protein, putative,Green fluorescent protein, SULFATE ION | | Authors: | Egea, P.F, Ah Young, A.P, Cascio, D. | | Deposit date: | 2014-12-17 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.013 Å) | | Cite: | Structural mapping of the ClpB ATPases of Plasmodium falciparum: Targeting protein folding and secretion for antimalarial drug design.
Protein Sci., 24, 2015
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7YX3
 | | Structure of the Mimivirus genomic fibre in its compact 6-start helix form | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase | | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | | Deposit date: | 2022-02-15 | | Release date: | 2022-08-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30-nm diameter helical protein shield.
Elife, 11, 2022
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7SEI
 | | Glucose-6-phosphate 1-dehydrogenase (K403Q) | | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D. | | Deposit date: | 2021-09-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants.
J.Biol.Chem., 298, 2022
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5M1G
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7B0A
 | | Puumala virus-like particle glycoprotein spike and lattice contacts model. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, ... | | Authors: | Rissanen, I, Stass, R, Huiskonen, J.T, Bowden, T.A. | | Deposit date: | 2020-11-19 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (13.9 Å) | | Cite: | Molecular rationale for antibody-mediated targeting of the hantavirus fusion glycoprotein.
Elife, 9, 2020
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8T1H
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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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7SIF
 | | Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-10-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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5M34
 | | Structure of cobinamide-bound BtuF mutant W66Y, the periplasmic vitamin B12 binding protein in E.coli | | Descriptor: | COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ... | | Authors: | Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P. | | Deposit date: | 2016-10-14 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F.
Sci Rep, 7, 2017
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6OFW
 | | Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate | | Descriptor: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION | | Authors: | Oliveira, A.A, Guido, R.V.C, Maluf, F.V, Bueno, R.V, Lima, G.M.A. | | Deposit date: | 2019-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate
To Be Published
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4XRA
 | | Salmonella typhimurium AhpC T43S mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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7B33
 | | MST3 in complex with MRIA11 | | Descriptor: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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6E8D
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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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8T6L
 | | Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B | | Descriptor: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | | Authors: | Tonggu, L, Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | | Deposit date: | 2023-06-16 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Dual receptor-sites reveal the structural basis for hyperactivation of sodium channels by poison-dart toxin batrachotoxin.
Nat Commun, 15, 2024
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6RYJ
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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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8CFA
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5M4R
 | | Structural tuning of CD81LEL (space group C2) | | Descriptor: | 1,2-ETHANEDIOL, CD81 antigen, SULFATE ION | | Authors: | Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G. | | Deposit date: | 2016-10-19 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop.
Structure, 25, 2017
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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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