6P93
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![BU of 6p93 by Molmil](/molmil-images/mine/6p93) | Human APE1 K98A AP-endonuclease product complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | Deposit date: | 2019-06-09 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance. Mutagenesis, 35, 2020
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4XGQ
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![BU of 4xgq by Molmil](/molmil-images/mine/4xgq) | Crystal structure of addiction module from Mycobacterial species | Descriptor: | Antitoxin VapB30, MAGNESIUM ION, Ribonuclease VapC30 | Authors: | Lee, B.-J, Lee, I.-G, Lee, S.J. | Deposit date: | 2015-01-02 | Release date: | 2015-08-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional studies of the Mycobacterium tuberculosis VapBC30 toxin-antitoxin system: implications for the design of novel antimicrobial peptides Nucleic Acids Res., 43, 2015
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7BUM
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![BU of 7bum by Molmil](/molmil-images/mine/7bum) | mcGAS bound with pGpA | Descriptor: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Wang, B, Su, X.D. | Deposit date: | 2020-04-07 | Release date: | 2020-09-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.047 Å) | Cite: | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP. Cell Rep, 32, 2020
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6PC7
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![BU of 6pc7 by Molmil](/molmil-images/mine/6pc7) | E. coli 50S ribosome bound to compound 46 | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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5J8O
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![BU of 5j8o by Molmil](/molmil-images/mine/5j8o) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). Oncotarget, 7, 2016
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6FQ2
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![BU of 6fq2 by Molmil](/molmil-images/mine/6fq2) | Structure of minimal sequence for left -handed G-quadruplex formation | Descriptor: | DNA (5'-D(*GP*TP*GP*GP*TP*GP*GP*TP*GP*GP*TP*G)-3'), POTASSIUM ION | Authors: | Schmitt, E, Mechulam, Y, Phan, A.T, Heddi, B, Bakalar, B. | Deposit date: | 2018-02-13 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A Minimal Sequence for Left-Handed G-Quadruplex Formation. Angew. Chem. Int. Ed. Engl., 58, 2019
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6TB0
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![BU of 6tb0 by Molmil](/molmil-images/mine/6tb0) | Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii | Descriptor: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2019-10-31 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
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6IV8
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![BU of 6iv8 by Molmil](/molmil-images/mine/6iv8) | the selenomethionine(SeMet)-derived Cas13d binary complex | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | Deposit date: | 2018-12-02 | Release date: | 2019-06-19 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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6VSE
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![BU of 6vse by Molmil](/molmil-images/mine/6vse) | |
7BNO
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![BU of 7bno by Molmil](/molmil-images/mine/7bno) | Open conformation of D614G SARS-CoV-2 spike with 2 Erect RBDs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2021-01-22 | Release date: | 2021-02-03 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The effect of the D614G substitution on the structure of the spike glycoprotein of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 118, 2021
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6FRH
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![BU of 6frh by Molmil](/molmil-images/mine/6frh) | Crystal structure of Ssp DnaB Mini-Intein variant M86 | Descriptor: | Replicative DNA helicase,Replicative DNA helicase | Authors: | Popp, M.A, Blankenfeldt, W, Gazdag, M.E, Matern, J.J.C, Mootz, H.D. | Deposit date: | 2018-02-15 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A functional interplay between intein and extein sequences in protein splicing compensates for the essential block B histidine. Chem Sci, 10, 2019
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6PC8
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![BU of 6pc8 by Molmil](/molmil-images/mine/6pc8) | E. coli 50S ribosome bound to compound 40q | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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7BNM
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![BU of 7bnm by Molmil](/molmil-images/mine/7bnm) | Closed conformation of D614G SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2021-01-22 | Release date: | 2021-02-03 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The effect of the D614G substitution on the structure of the spike glycoprotein of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 118, 2021
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4Y0N
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![BU of 4y0n by Molmil](/molmil-images/mine/4y0n) | SAV1875 | Descriptor: | Uncharacterized protein SAV1875 | Authors: | Kim, H.J, Kwon, A.R, Lee, B.J. | Deposit date: | 2015-02-06 | Release date: | 2016-01-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional insight into the different oxidation states of SAV1875 from Staphylococcus aureus Biochem.J., 473, 2016
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6PKU
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![BU of 6pku by Molmil](/molmil-images/mine/6pku) | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C51S C221S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4Y1F
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![BU of 4y1f by Molmil](/molmil-images/mine/4y1f) | SAV1875-E17D | Descriptor: | Uncharacterized protein SAV1875 | Authors: | Kim, H.J, Kwon, A.R, Lee, B.J. | Deposit date: | 2015-02-07 | Release date: | 2016-01-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional insight into the different oxidation states of SAV1875 from Staphylococcus aureus Biochem.J., 473, 2016
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7LRT
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![BU of 7lrt by Molmil](/molmil-images/mine/7lrt) | |
7A40
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![BU of 7a40 by Molmil](/molmil-images/mine/7a40) | Nucleotide-free OSM-3 kinesin motor domain | Descriptor: | GLYCEROL, Osmotic avoidance abnormal protein 3, SULFATE ION | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | Deposit date: | 2020-08-19 | Release date: | 2021-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism. Febs Open Bio, 11, 2021
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4XEW
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![BU of 4xew by Molmil](/molmil-images/mine/4xew) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-12-25 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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6VS5
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![BU of 6vs5 by Molmil](/molmil-images/mine/6vs5) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | Deposit date: | 2020-02-10 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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5LQ0
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![BU of 5lq0 by Molmil](/molmil-images/mine/5lq0) | Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution | Descriptor: | Annexin A2, CALCIUM ION | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | Deposit date: | 2016-08-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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8DOH
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![BU of 8doh by Molmil](/molmil-images/mine/8doh) | Dehaloperoxidase B in complex with Bisphenol F | Descriptor: | 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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5J73
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![BU of 5j73 by Molmil](/molmil-images/mine/5j73) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | protein design 2L4HC2_9 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-04-05 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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8DWH
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![BU of 8dwh by Molmil](/molmil-images/mine/8dwh) | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | Descriptor: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-01 | Release date: | 2022-11-02 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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6NET
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![BU of 6net by Molmil](/molmil-images/mine/6net) | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | Descriptor: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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