7A0B
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![BU of 7a0b by Molmil](/molmil-images/mine/7a0b) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | Descriptor: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-07 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7MVW
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![BU of 7mvw by Molmil](/molmil-images/mine/7mvw) | Crystal structure of Chaetomium thermophilum Nup188 NTD (residues 1-1134) | Descriptor: | GLYCEROL, Nucleoporin NUP188 | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-05-15 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7A9E
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![BU of 7a9e by Molmil](/molmil-images/mine/7a9e) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | Descriptor: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-01 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7MVV
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![BU of 7mvv by Molmil](/molmil-images/mine/7mvv) | Single particle cryo-EM structure of the Chaetomium thermophilum Nup192-Nic96-Nup53-Nup145N complex (Nup192 residues 1-1756; Nic96 residues 240-301; Nup53 31-67; Nup145N 616-683) | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP192, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-05-15 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7V8B
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![BU of 7v8b by Molmil](/molmil-images/mine/7v8b) | Local refinement of SARS-CoV-2 S-Delta variant (B.1.617.2) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Local refinement of SARS-CoV-2 S-Delta variant (B.1.617.2) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain To Be Published
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6UCD
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8G6Z
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![BU of 8g6z by Molmil](/molmil-images/mine/8g6z) | JAK2 crystal structure in complex with Compound 13 | Descriptor: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-16 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8G8O
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![BU of 8g8o by Molmil](/molmil-images/mine/8g8o) | The crystal structure of JAK2 in complex with Compound 31 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ... | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-18 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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5IN7
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![BU of 5in7 by Molmil](/molmil-images/mine/5in7) | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | Descriptor: | Neuronal migration protein doublecortin | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | Deposit date: | 2016-03-07 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
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5IRX
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![BU of 5irx by Molmil](/molmil-images/mine/5irx) | Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc | Descriptor: | (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | Deposit date: | 2016-03-14 | Release date: | 2016-05-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action. Nature, 534, 2016
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6OBY
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![BU of 6oby by Molmil](/molmil-images/mine/6oby) | |
6X2Z
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![BU of 6x2z by Molmil](/molmil-images/mine/6x2z) | hEAAT3-OFS-Asp | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | Authors: | Qiu, B, Matthies, D, Boudker, O. | Deposit date: | 2020-05-21 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport. Sci Adv, 7, 2021
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6X3E
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![BU of 6x3e by Molmil](/molmil-images/mine/6x3e) | hEAAT3-Asymmetric-1o2i | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | Authors: | Qiu, B, Matthies, D, Boudker, O. | Deposit date: | 2020-05-21 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport. Sci Adv, 7, 2021
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6WQU
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![BU of 6wqu by Molmil](/molmil-images/mine/6wqu) | CSL (RBPJ) bound to Notch3 RAM and DNA | Descriptor: | DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Neurogenic locus notch homolog protein 3, ... | Authors: | Kovall, R.A, Gagliani, E, Hall, D. | Deposit date: | 2020-04-29 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | PIM-induced phosphorylation of Notch3 promotes breast cancer tumorigenicity in a CSL-independent fashion. J.Biol.Chem., 296, 2021
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6X3F
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![BU of 6x3f by Molmil](/molmil-images/mine/6x3f) | hEAAT3-IFS-Apo | Descriptor: | CHOLINE ION, Excitatory amino acid transporter 3 | Authors: | Qiu, B, Matthies, D, Boudker, O. | Deposit date: | 2020-05-21 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport. Sci Adv, 7, 2021
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5I1U
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8G8X
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![BU of 8g8x by Molmil](/molmil-images/mine/8g8x) | X-ray co-crystal structure of compound 27 in with complex JAK2 | Descriptor: | 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2 | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-20 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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6O6A
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![BU of 6o6a by Molmil](/molmil-images/mine/6o6a) | Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, ligand-free state | Descriptor: | CHOLESTEROL HEMISUCCINATE, SODIUM ION, Transient receptor potential cation channel subfamily M member 8 | Authors: | Diver, M.M, Cheng, Y, Julius, D. | Deposit date: | 2019-03-05 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into TRPM8 inhibition and desensitization. Science, 365, 2019
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8STX
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4X31
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![BU of 4x31 by Molmil](/molmil-images/mine/4x31) | Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U. | Deposit date: | 2014-11-27 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation. Iucrj, 2, 2015
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6QTN
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![BU of 6qtn by Molmil](/molmil-images/mine/6qtn) | Tubulin-cyclostreptin complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F. | Deposit date: | 2019-02-25 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands. Int J Mol Sci, 20, 2019
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6ZRG
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![BU of 6zrg by Molmil](/molmil-images/mine/6zrg) | Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S. | Deposit date: | 2020-07-13 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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5L6L
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![BU of 5l6l by Molmil](/molmil-images/mine/5l6l) | Structure of Caulobacter crescentus VapBC1 bound to operator DNA | Descriptor: | DNA (27-MER), Ribonuclease VapC, VapB family protein | Authors: | Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E. | Deposit date: | 2016-05-30 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding. Nucleic Acids Res., 45, 2017
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6ZX9
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![BU of 6zx9 by Molmil](/molmil-images/mine/6zx9) | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | Descriptor: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | Authors: | Schwefel, D, Banchenko, S. | Deposit date: | 2020-07-29 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.519729 Å) | Cite: | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses. Plos Pathog., 17, 2021
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5IEI
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![BU of 5iei by Molmil](/molmil-images/mine/5iei) | X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11 | Descriptor: | 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ... | Authors: | Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P. | Deposit date: | 2016-02-25 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist. Proc.Natl.Acad.Sci.USA, 113, 2016
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