3R1F
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![BU of 3r1f by Molmil](/molmil-images/mine/3r1f) | Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis | Descriptor: | ESX-1 secretion-associated regulator EspR | Authors: | Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S. | Deposit date: | 2011-03-10 | Release date: | 2011-08-03 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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6RHB
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6S5S
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![BU of 6s5s by Molmil](/molmil-images/mine/6s5s) | Cfucosylated second generation peptide dendrimer SBD8 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 1.43 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2019-07-02 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.433 Å) | Cite: | X-Ray Crystal Structure of a Second Generation Peptide Dendrimer in Complex with Pseudomonas aeruginosa Lectin LecB Helv.Chim.Acta, 2019
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6S66
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![BU of 6s66 by Molmil](/molmil-images/mine/6s66) | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | Descriptor: | 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | Deposit date: | 2019-07-02 | Release date: | 2020-07-22 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors. Eur.J.Med.Chem., 226, 2021
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6RK4
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![BU of 6rk4 by Molmil](/molmil-images/mine/6rk4) | Lysostaphin SH3b P4-G5 complex, synchrotron dataset | Descriptor: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid, 1,2-ETHANEDIOL, Lysostaphin | Authors: | Walters-Morgan, H, Lovering, A.L. | Deposit date: | 2019-04-30 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Two-site recognition of Staphylococcus aureus peptidoglycan by lysostaphin SH3b. Nat.Chem.Biol., 16, 2020
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7RQB
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![BU of 7rqb by Molmil](/molmil-images/mine/7rqb) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site MAI-tripeptidyl-tRNA analog ACCA-IAM at 2.45A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | Deposit date: | 2021-08-06 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol. Nat.Struct.Mol.Biol., 29, 2022
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6RV9
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![BU of 6rv9 by Molmil](/molmil-images/mine/6rv9) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid XUXXR | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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8E7X
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![BU of 8e7x by Molmil](/molmil-images/mine/8e7x) | RsTSPO A138F with one Heme bound | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | Deposit date: | 2022-08-25 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity. Biochemistry, 62, 2023
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8E7Z
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![BU of 8e7z by Molmil](/molmil-images/mine/8e7z) | RsTSPO mutant -A138F | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Tryptophan-rich sensory protein | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | Deposit date: | 2022-08-25 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity. Biochemistry, 62, 2023
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3RJT
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![BU of 3rjt by Molmil](/molmil-images/mine/3rjt) | Crystal structure of lipolytic protein G-D-S-L family from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Chang, C, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-15 | Release date: | 2011-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of lipolytic protein G-D-S-L family from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 To be Published
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3RQS
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![BU of 3rqs by Molmil](/molmil-images/mine/3rqs) | Crystal Structure of human L-3- Hydroxyacyl-CoA dehydrogenase (EC1.1.1.35) from mitochondria at the resolution 2.0 A, Northeast Structural Genomics Consortium Target HR487, Mitochondrial Protein Partnership | Descriptor: | GLYCEROL, Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | Authors: | Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2011-04-28 | Release date: | 2011-05-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Northeast Structural Genomics Consortium Target HR487 To be published
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7R5A
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3RQ2
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![BU of 3rq2 by Molmil](/molmil-images/mine/3rq2) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADH | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-27 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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6TEN
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![BU of 6ten by Molmil](/molmil-images/mine/6ten) | Crystal structure of Dot1L in complex with an inhibitor (compound 11). | Descriptor: | 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | Deposit date: | 2019-11-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
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3RRE
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![BU of 3rre by Molmil](/molmil-images/mine/3rre) | Crystal Structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-04-29 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3R1Z
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![BU of 3r1z by Molmil](/molmil-images/mine/3r1z) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-11 | Release date: | 2011-04-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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6TPM
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![BU of 6tpm by Molmil](/molmil-images/mine/6tpm) | Crystal structure of AmpC from E.coli with Relebactam (MK-7655) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-12-13 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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3RA0
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7R5G
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3RD0
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![BU of 3rd0 by Molmil](/molmil-images/mine/3rd0) | Horse spleen apo-ferritin with bound thiopental | Descriptor: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, CADMIUM ION, Ferritin light chain, ... | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2011-03-31 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High resolution view of barbiturate recognition by a protein binding site to be published
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6TPN
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![BU of 6tpn by Molmil](/molmil-images/mine/6tpn) | Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | Descriptor: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-13 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6THT
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![BU of 6tht by Molmil](/molmil-images/mine/6tht) | |
3RSS
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![BU of 3rss by Molmil](/molmil-images/mine/3rss) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3RTC
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![BU of 3rtc by Molmil](/molmil-images/mine/3rtc) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD and ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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6THS
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![BU of 6ths by Molmil](/molmil-images/mine/6ths) | |