7Q0Q
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![BU of 7q0q by Molmil](/molmil-images/mine/7q0q) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-16 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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7TBF
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![BU of 7tbf by Molmil](/molmil-images/mine/7tbf) | Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-12-21 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529. Science, 376, 2022
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7TCA
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![BU of 7tca by Molmil](/molmil-images/mine/7tca) | Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ... | Authors: | Zhou, T, Kwong, P.D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529. Science, 376, 2022
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7TCC
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5MNV
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8PIE
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![BU of 8pie by Molmil](/molmil-images/mine/8pie) | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | Deposit date: | 2023-06-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The activation chain of the broad-spectrum antiviral bemnifosbuvir at atomic resolution Plos Biol., 2024
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8V4X
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![BU of 8v4x by Molmil](/molmil-images/mine/8v4x) | Structure of MALT1 in complex with an allosteric inhibitor | Descriptor: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | Authors: | Judge, R.A, Pappano, W.N. | Deposit date: | 2023-11-29 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma. Mol.Cancer Ther., 23, 2024
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7QRC
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![BU of 7qrc by Molmil](/molmil-images/mine/7qrc) | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | Descriptor: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | Authors: | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | Deposit date: | 2022-01-10 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. Eur.J.Med.Chem., 243, 2022
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4X05
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7P0Z
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![BU of 7p0z by Molmil](/molmil-images/mine/7p0z) | 2.43 A Mycobacterium marinum EspB. | Descriptor: | ESX-1 secretion-associated protein EspB | Authors: | Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-07-01 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Priming mycobacterial ESX-secreted protein B to form a channel-like structure. Curr Res Struct Biol, 3, 2021
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7P13
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![BU of 7p13 by Molmil](/molmil-images/mine/7p13) | 2.29 A Mycobacterium tuberculosis EspB. | Descriptor: | ESX-1 secretion-associated protein EspB | Authors: | Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-07-01 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Priming mycobacterial ESX-secreted protein B to form a channel-like structure. Curr Res Struct Biol, 3, 2021
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6OKO
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6VLW
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![BU of 6vlw by Molmil](/molmil-images/mine/6vlw) | Crystal Structure of 426cOD in Complex with VRC01 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 426cOD, ... | Authors: | Weidle, C, Pancera, M. | Deposit date: | 2020-01-27 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors. Immunity, 53, 2020
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7OB1
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![BU of 7ob1 by Molmil](/molmil-images/mine/7ob1) | OLIGOPEPTIDASE B FROM S. PROTEOMACULANS WITH MODIFIED HINGE | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Korzhenevskiy, D.A, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-04-20 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
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1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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6Z3H
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![BU of 6z3h by Molmil](/molmil-images/mine/6z3h) | Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 2) | Descriptor: | Growth/differentiation factor 5, RGM domain family member B | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.158 Å) | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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7S7K
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![BU of 7s7k by Molmil](/molmil-images/mine/7s7k) | Crystal structure of the EphB2 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, ... | Authors: | Xu, Y, Xu, K, Nikolov, D.B. | Deposit date: | 2021-09-16 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism. Int J Mol Sci, 22, 2021
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6FYW
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8U44
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![BU of 8u44 by Molmil](/molmil-images/mine/8u44) | CryoEM structure of A/Solomon Islands/3/2006 H1 HA in complex with 05.GC.w2.3C10-H1_SI06 | Descriptor: | 05.GC.w2.3C10-H1_SI06 Heavy chain, 05.GC.w2.3C10-H1_SI06 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Moore, N, Han, J, Ward, A.B, Wilson, I.A. | Deposit date: | 2023-09-08 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Persistence of germinal center B cell responses after influenza virus vaccination in humans To Be Published
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9AXG
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8BDR
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6WY5
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![BU of 6wy5 by Molmil](/molmil-images/mine/6wy5) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.898 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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7YC5
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![BU of 7yc5 by Molmil](/molmil-images/mine/7yc5) | Cryo-EM structure of SARS-CoV-2 spike in complex with K202.B bispecific antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain from K202.B, bispecific antibody, ... | Authors: | Yoo, Y, Cho, H.S. | Deposit date: | 2022-06-30 | Release date: | 2023-07-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants. Antiviral Res., 212, 2023
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1F69
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1F82
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![BU of 1f82 by Molmil](/molmil-images/mine/1f82) | BOTULINUM NEUROTOXIN TYPE B CATALYTIC DOMAIN | Descriptor: | BOTULINUM NEUROTOXIN TYPE B, ZINC ION | Authors: | Hanson, M.A, Stevens, R.C. | Deposit date: | 2000-06-28 | Release date: | 2000-08-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cocrystal structure of synaptobrevin-II bound to botulinum neurotoxin type B at 2.0 A resolution. Nat.Struct.Biol., 7, 2000
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