7R15
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![BU of 7r15 by Molmil](/molmil-images/mine/7r15) | Alpha Variant 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, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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7RQP
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![BU of 7rqp by Molmil](/molmil-images/mine/7rqp) | Structure of PfCSP NPNV binding antibody L9 | Descriptor: | L9 Heavy Chain, L9 Kappa Chain | Authors: | Hurlburt, N.K, Pancera, M. | Deposit date: | 2021-08-06 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria. Cell Rep, 38, 2022
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7R1A
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![BU of 7r1a by Molmil](/molmil-images/mine/7r1a) | Furin Cleaved Alpha Variant SARS-CoV-2 Spike in complex with 3 ACE2 | 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, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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7R16
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![BU of 7r16 by Molmil](/molmil-images/mine/7r16) | Beta Variant SARS-CoV-2 Spike with 1 Erect RBD | 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, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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6RJ6
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![BU of 6rj6 by Molmil](/molmil-images/mine/6rj6) | Crystal structure of PHGDH in complex with BI-4924 | Descriptor: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6WBX
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![BU of 6wbx by Molmil](/molmil-images/mine/6wbx) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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6WBY
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![BU of 6wby by Molmil](/molmil-images/mine/6wby) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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5MP2
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![BU of 5mp2 by Molmil](/molmil-images/mine/5mp2) | XcpQN012 in complex with VHH04 | Descriptor: | Camelid nanobody VHH04, Type II secretion system protein D | Authors: | Trinh, T.T.N, Roussel, A, Douzi, B, Voulhoux, R. | Deposit date: | 2016-12-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio, 8, 2017
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6O0S
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![BU of 6o0s by Molmil](/molmil-images/mine/6o0s) | Crystal structure of the tandem SAM domains from human SARM1 | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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5JR3
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![BU of 5jr3 by Molmil](/molmil-images/mine/5jr3) | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone | Descriptor: | 7-hydroxy-4-methyl-2H-chromen-2-one, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, F, Johnson, B.R, Huber, T.D, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-05-05 | Release date: | 2016-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone (to be published) To Be Published
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5LVS
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![BU of 5lvs by Molmil](/molmil-images/mine/5lvs) | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. | Deposit date: | 2016-09-14 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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6WIX
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![BU of 6wix by Molmil](/molmil-images/mine/6wix) | Crystal Structure of HIV-1 MI369 RnS-DS.SOSIP Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, Y.-T, Olia, A, Kwong, P.D. | Deposit date: | 2020-04-10 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Automated Design by Structure-Based Stabilization and Consensus Repair to Achieve Prefusion-Closed Envelope Trimers in a Wide Variety of HIV Strains. Cell Rep, 33, 2020
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6WGT
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![BU of 6wgt by Molmil](/molmil-images/mine/6wgt) | Crystal structure of HTR2A with hallucinogenic agonist | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | Deposit date: | 2020-04-06 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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8JBK
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![BU of 8jbk by Molmil](/molmil-images/mine/8jbk) | Crystal structure of Na+,K+-ATPase in the E1.3Na+ state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | Deposit date: | 2023-05-09 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
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6QF5
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![BU of 6qf5 by Molmil](/molmil-images/mine/6qf5) | X-Ray structure of human Aquaporin 2 crystallized on a silicon chip | Descriptor: | Aquaporin-2, CADMIUM ION | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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6QKD
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![BU of 6qkd by Molmil](/molmil-images/mine/6qkd) | CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085 | Descriptor: | CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ... | Authors: | Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G. | Deposit date: | 2019-01-29 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fab Fragment of VHH-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine IL-17A Crystals, 2019
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7UXX
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![BU of 7uxx by Molmil](/molmil-images/mine/7uxx) | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain | Descriptor: | ACETATE ION, GLYCEROL, Nucleoprotein | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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7UXZ
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![BU of 7uxz by Molmil](/molmil-images/mine/7uxz) | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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6W17
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![BU of 6w17 by Molmil](/molmil-images/mine/6w17) | Structure of Dip1-activated Arp2/3 complex with nucleated actin filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Shaaban, M, Nolen, B.J, Chowdhury, S. | Deposit date: | 2020-03-03 | Release date: | 2020-08-12 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM reveals the transition of Arp2/3 complex from inactive to nucleation-competent state. Nat.Struct.Mol.Biol., 27, 2020
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6VTU
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![BU of 6vtu by Molmil](/molmil-images/mine/6vtu) | DH717.1 Fab monomer in complex with man9 glycan | Descriptor: | DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ... | Authors: | Fera, D, Bronkema, N. | Deposit date: | 2020-02-13 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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5K72
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![BU of 5k72 by Molmil](/molmil-images/mine/5k72) | IRAK4 in complex with Compound 21 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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1AZC
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![BU of 1azc by Molmil](/molmil-images/mine/1azc) | STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | AZURIN, COPPER (II) ION, SULFATE ION | Authors: | Baker, E.N, Shepard, W.E.B, Kingston, R.L. | Deposit date: | 1992-12-16 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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5KBA
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![BU of 5kba by Molmil](/molmil-images/mine/5kba) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein ANK1C2 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-06-02 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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4YC8
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![BU of 4yc8 by Molmil](/molmil-images/mine/4yc8) | C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ... | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-19 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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6VN0
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![BU of 6vn0 by Molmil](/molmil-images/mine/6vn0) | BG505 SOSIP.v4.1 in complex with rhesus macaque Fab RM20F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Cottrell, C.A, Shin, M, Ward, A.B. | Deposit date: | 2020-01-29 | Release date: | 2020-06-24 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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