8IJO
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4ZH0
| Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD | Descriptor: | Outer membrane protein-adhesin | Authors: | Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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8CQK
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 30) | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | Deposit date: | 2023-03-06 | Release date: | 2023-09-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
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6J5C
| Louping ill virus envelope protein | Descriptor: | Envelope protein E | Authors: | Yang, X, Qi, J, Peng, R, Dai, L, Gould, E.A, Tien, P, Gao, G.F. | Deposit date: | 2019-01-10 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Molecular Basis of a Protective/Neutralizing Monoclonal Antibody Targeting Envelope Proteins of both Tick-Borne Encephalitis Virus and Louping Ill Virus. J. Virol., 93, 2019
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8DD6
| SARS-CoV-2 Main Protease (Mpro) H163A Mutant in Complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, DIMETHYL SULFOXIDE, ORF1a polyprotein | Authors: | Tran, N, McLeod, M.J, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2022-06-17 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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7S0M
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7JGM
| Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate | Descriptor: | Ferritin heavy chain, NICKEL (II) ION, N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide, ... | Authors: | Bailey, J.B, Tezcan, F.A. | Deposit date: | 2020-07-19 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
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6SQB
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-(3-chlorophenyl)propanoic acid | Descriptor: | 3-(3-chlorophenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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5M3B
| Structure of cobinamide-bound BtuF mutant W66L, 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 (1.5 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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7JGL
| Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 100K | Descriptor: | Ferritin heavy chain, N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide, SODIUM ION, ... | Authors: | Bailey, J.B, Tezcan, F.A. | Deposit date: | 2020-07-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
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8VBR
| Structure of bovine anti-HIV Fab ElsE11 | Descriptor: | Bovine Fab ElsE11 light chain, Bovine Fab Else11 heavy chain | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2023-12-12 | Release date: | 2024-09-04 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire. Plos Pathog., 20, 2024
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7AFS
| The structure of Artemis variant D37A | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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6SQD
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid | Descriptor: | 2-pyrazol-1-ylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6CLD
| 1.01 A MicroED structure of GSNQNNF at 0.81 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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5OX9
| Structure of the Cyan Fluorescent Protein SCFP3A at pH 4.5 | Descriptor: | CHLORIDE ION, Green fluorescent protein | Authors: | Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A. | Deposit date: | 2017-09-06 | Release date: | 2017-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins. Biochemistry, 56, 2017
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5LLW
| Bacteriophytochrome activated diguanylyl cyclase from Idiomarina species A28L | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, CHLORIDE ION, Diguanylate cyclase (GGDEF) domain-containing protein | Authors: | Gourinchas, G, Winkler, A. | Deposit date: | 2016-07-28 | Release date: | 2017-03-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Long-range allosteric signaling in red light-regulated diguanylyl cyclases. Sci Adv, 3, 2017
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6CLK
| 1.01 A MicroED structure of GSNQNNF at 0.82 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLS
| 1.46 A MicroED structure of GSNQNNF at 3.4 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.46 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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8B4J
| Rfa1-N-terminal domain in complex with phosphorylated Ddc2 | Descriptor: | 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A. Proc.Natl.Acad.Sci.USA, 120, 2023
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8VBN
| Structure of bovine anti-HIV Fab ElsE8 | Descriptor: | Bovine Fab ElsE8 heavy chain, Bovine Fab ElsE8 light chain | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2023-12-12 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire. Plos Pathog., 20, 2024
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5LF1
| Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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6YNY
| Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1Fo composite dimer model | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Kock Flygaard, R, Muhleip, A, Amunts, A. | Deposit date: | 2020-04-14 | Release date: | 2020-09-30 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization. Nat Commun, 11, 2020
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5I0K
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3PCX
| Caspase-3 E246A, K242A Double Mutant | Descriptor: | Caspase-3, Inhibitor Ac-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-23 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
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6J9M
| NmeBH+AcrIIC2 | Descriptor: | AcrIIC2, CRISPR-associated endonuclease Cas9 | Authors: | Zhu, Y.L, Gao, A, Serganov, A, Gao, P. | Deposit date: | 2019-01-23 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins. Mol. Cell, 74, 2019
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