7AI5
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![BU of 7ai5 by Molmil](/molmil-images/mine/7ai5) | MutS in Scanning state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*AP*AP*TP*TP*CP*GP*CP*CP*CP*TP*AP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*TP*AP*GP*GP*GP*CP*GP*AP*AP*TP*TP*GP*GP*GP*TP*AP*CP*CP*G)-3'), ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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7AIC
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![BU of 7aic by Molmil](/molmil-images/mine/7aic) | MutS-MutL in clamp state (kinked clamp domain) | Descriptor: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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8CDS
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![BU of 8cds by Molmil](/molmil-images/mine/8cds) | Crystal structure of the xhNup93-Nb4i VHH antibody | Descriptor: | 1,2-ETHANEDIOL, 5-Nup93 inhibitory VHH antibody, DI(HYDROXYETHYL)ETHER | Authors: | Guttler, T, Colom, M.S, Gorlich, D. | Deposit date: | 2023-02-01 | Release date: | 2024-02-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 43, 2024
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4Q9C
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![BU of 4q9c by Molmil](/molmil-images/mine/4q9c) | IgNAR antibody domain C3 | Descriptor: | CHLORIDE ION, Novel antigen receptor, SODIUM ION, ... | Authors: | Feige, J.M, Graewert, M.A, Marcinowski, M, Hennig, J, Behnke, J, Auslaender, D, Herold, E.M, Peschek, J, Castro, C.D, Flajnik, M.F, Hendershot, L.M, Sattler, M, Groll, M, Buchner, J. | Deposit date: | 2014-04-30 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QHL
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![BU of 4qhl by Molmil](/molmil-images/mine/4qhl) | I3.2 (unbound) from CH103 Lineage | Descriptor: | I3 heavy chain, UCA light chain | Authors: | Fera, D, Harrison, S.C. | Deposit date: | 2014-05-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains. Proc.Natl.Acad.Sci.USA, 111, 2014
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7ARO
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![BU of 7aro by Molmil](/molmil-images/mine/7aro) | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.119 Å) | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor. J.Med.Chem., 64, 2021
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5MGE
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![BU of 5mge by Molmil](/molmil-images/mine/5mge) | |
5MJG
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![BU of 5mjg by Molmil](/molmil-images/mine/5mjg) | Single-shot pink beam serial crystallography: Thaumatin | Descriptor: | S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1 | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | Deposit date: | 2016-12-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single-shot pink beam serial crystallography: Thaumatin To Be Published
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5MGH
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![BU of 5mgh by Molmil](/molmil-images/mine/5mgh) | Crystal structure of pathogenic mutants of human mitochodnrial PheRS | Descriptor: | PHENYLALANINE, Phenylalanine--tRNA ligase, mitochondrial | Authors: | Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M. | Deposit date: | 2016-11-21 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2. Protein Sci., 26, 2017
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5MK2
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![BU of 5mk2 by Molmil](/molmil-images/mine/5mk2) | |
8CMA
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![BU of 8cma by Molmil](/molmil-images/mine/8cma) | SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-02-18 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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5MIF
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![BU of 5mif by Molmil](/molmil-images/mine/5mif) | Crystal structure of carboxyl esterase 2 (TmelEST2) from mycorrhizal fungus Tuber melanosporum | Descriptor: | 'Carboxyl esterase 2, FRAGMENT OF TRITON X-100 | Authors: | Zanotti, G, Vallese, F, Cavazzini, D, Ottonello, S. | Deposit date: | 2016-11-28 | Release date: | 2017-08-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | A family of archaea-like carboxylesterases preferentially expressed in the symbiotic phase of the mycorrhizal fungus Tuber melanosporum. Sci Rep, 7, 2017
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5MN7
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![BU of 5mn7 by Molmil](/molmil-images/mine/5mn7) | S. aureus FtsZ 12-316 F138A GTP Closed form (3FCm) | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J. | Deposit date: | 2016-12-12 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments. MBio, 8, 2017
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8CMO
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![BU of 8cmo by Molmil](/molmil-images/mine/8cmo) | Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp. | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Fadeeva, M, Klaiman, D, Nelson, N. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp. To Be Published
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5MQN
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![BU of 5mqn by Molmil](/molmil-images/mine/5mqn) | Glycoside hydrolase BT_0986 | Descriptor: | CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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4QNR
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![BU of 4qnr by Molmil](/molmil-images/mine/4qnr) | CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ATP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-18 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.539 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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5MSG
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7B7P
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![BU of 7b7p by Molmil](/molmil-images/mine/7b7p) | PilB minor pilin from Streptococcus sanguinis | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Type IV pilus biogenesis protein PilB | Authors: | Pelicic, V, Sheppard, D. | Deposit date: | 2020-12-11 | Release date: | 2021-04-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | PilB from Streptococcus sanguinis is a bimodular type IV pilin with a direct role in adhesion. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MTF
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![BU of 5mtf by Molmil](/molmil-images/mine/5mtf) | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | Deposit date: | 2017-01-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases. Cell Chem Biol, 24, 2017
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5MTY
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![BU of 5mty by Molmil](/molmil-images/mine/5mty) | Dibenzosuberone inhibitor 8e in complex with p38 MAPK | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-01-11 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
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8COD
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![BU of 8cod by Molmil](/molmil-images/mine/8cod) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Mus musculus in complex with inosine | Descriptor: | Adenosylhomocysteinase, INOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Saleem-Batcha, R, Popadic, D, Koeppl, L.H, Andexer, J.N. | Deposit date: | 2023-02-27 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Mus musculus in complex with inosine To Be Published
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5MVD
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![BU of 5mvd by Molmil](/molmil-images/mine/5mvd) | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | Deposit date: | 2017-01-16 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem, 129, 2017
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5MXK
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![BU of 5mxk by Molmil](/molmil-images/mine/5mxk) | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2017-01-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
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2K3N
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![BU of 2k3n by Molmil](/molmil-images/mine/2k3n) | |
8C67
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![BU of 8c67 by Molmil](/molmil-images/mine/8c67) | Crystal structure of Ab25 Fab | Descriptor: | antibody 25 heavy chain, antibody 25 light chain | Authors: | Nyblom, M, Izadi, A, Tang, D, Bahnan, W, Happonen, L, Malmstroem, J, Shannon, O, Malmstroem, L, Nordenfelt, P. | Deposit date: | 2023-01-11 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci To Be Published
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