1ING
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![BU of 1ing by Molmil](/molmil-images/mine/1ing) | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA109 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1995-07-07 | Release date: | 1996-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. J.Med.Chem., 38, 1995
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7MQJ
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![BU of 7mqj by Molmil](/molmil-images/mine/7mqj) | Dhr1 Helicase Core | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Probable ATP-dependent RNA helicase DHR1 | Authors: | Miller, L, Chaker-Margot, M, Klinge, S. | Deposit date: | 2021-05-05 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Nucleolar maturation of the human small subunit processome. Science, 373, 2021
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1NPY
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![BU of 1npy by Molmil](/molmil-images/mine/1npy) | Structure of shikimate 5-dehydrogenase-like protein HI0607 | Descriptor: | ACETYL GROUP, Hypothetical shikimate 5-dehydrogenase-like protein HI0607 | Authors: | Korolev, S, Koroleva, O, Zarembinski, T, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-01-20 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of a Novel Shikimate Dehydrogenase from Haemophilus influenzae. J.Biol.Chem., 280, 2005
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5XNG
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![BU of 5xng by Molmil](/molmil-images/mine/5xng) | EFK17A structure in Microgel MAA60 | Descriptor: | Cathelicidin antimicrobial peptide | Authors: | Datta, A, Bhunia, A. | Deposit date: | 2017-05-22 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels ACS Appl Mater Interfaces, 9, 2017
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5XRX
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![BU of 5xrx by Molmil](/molmil-images/mine/5xrx) | EFK17DA structure in Microgel MAA60 | Descriptor: | Cathelicidin antimicrobial peptide | Authors: | Datta, A, Bhunia, A. | Deposit date: | 2017-06-10 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels ACS Appl Mater Interfaces, 9, 2017
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2NCU
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![BU of 2ncu by Molmil](/molmil-images/mine/2ncu) | |
2NCW
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![BU of 2ncw by Molmil](/molmil-images/mine/2ncw) | |
4ZWV
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![BU of 4zwv by Molmil](/molmil-images/mine/4zwv) | Crystal Structure of Aminotransferase AtmS13 from Actinomadura melliaura | Descriptor: | GLYCEROL, Putative aminotransferase | Authors: | Kim, Y, Bigelow, L, Endres, M, Wang, F, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-19 | Release date: | 2015-06-03 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis. Proteins, 83, 2015
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4J2N
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![BU of 4j2n by Molmil](/molmil-images/mine/4j2n) | Crystal Structure of mycobacteriophage Pukovnik Xis | Descriptor: | Gp37, SULFATE ION | Authors: | Homa, N.J, Amrich, C.G, Heroux, A, VanDemark, A.P. | Deposit date: | 2013-02-04 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | The Structure of Xis Reveals the Basis for Filament Formation and Insight into DNA Bending within a Mycobacteriophage Intasome. J.Mol.Biol., 426, 2014
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7JM5
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![BU of 7jm5 by Molmil](/molmil-images/mine/7jm5) | Crystal structure of KDM4B in complex with QC6352 | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-07-31 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
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7TZG
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7TZ2
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![BU of 7tz2 by Molmil](/molmil-images/mine/7tz2) | Structure of human Fibrinogen-like protein 1 | Descriptor: | CALCIUM ION, Fibrinogen-like protein 1 | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | Deposit date: | 2022-02-15 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition. Nat.Immunol., 23, 2022
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7TZH
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![BU of 7tzh by Molmil](/molmil-images/mine/7tzh) | |
7TZE
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![BU of 7tze by Molmil](/molmil-images/mine/7tze) | Structure of murine LAG3 domains 1-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | Deposit date: | 2022-02-15 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition. Nat.Immunol., 23, 2022
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7Z0Y
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![BU of 7z0y by Molmil](/molmil-images/mine/7z0y) | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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7Z0X
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![BU of 7z0x by Molmil](/molmil-images/mine/7z0x) | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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2IIV
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![BU of 2iiv by Molmil](/molmil-images/mine/2iiv) | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Weber, A.E, Biftu, T. | Deposit date: | 2006-09-28 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
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2IL4
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![BU of 2il4 by Molmil](/molmil-images/mine/2il4) | Crystal structure of At1g77540-Coenzyme A Complex | Descriptor: | COENZYME A, Protein At1g77540 | Authors: | Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2006-10-02 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
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7WVL
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![BU of 7wvl by Molmil](/molmil-images/mine/7wvl) | |
8D1B
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![BU of 8d1b by Molmil](/molmil-images/mine/8d1b) | |
8BWU
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![BU of 8bwu by Molmil](/molmil-images/mine/8bwu) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
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7ZC9
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![BU of 7zc9 by Molmil](/molmil-images/mine/7zc9) | Human Pikachurin/EGFLAM C-terminal Laminin-G domain (LG3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pikachurin, SULFATE ION | Authors: | Pantalone, S, Forneris, F. | Deposit date: | 2022-03-26 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179. Sci.Signal., 16, 2023
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7ZCB
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![BU of 7zcb by Molmil](/molmil-images/mine/7zcb) | Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains | Descriptor: | CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Pantalone, S, Savino, S, Viti, L.V, Forneris, F. | Deposit date: | 2022-03-26 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179. Sci.Signal., 16, 2023
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1IVD
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![BU of 1ivd by Molmil](/molmil-images/mine/1ivd) | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1994-12-12 | Release date: | 1995-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase. Biochemistry, 34, 1995
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1IVE
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![BU of 1ive by Molmil](/molmil-images/mine/1ive) | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-alpha-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, 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1994-12-12 | Release date: | 1995-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase. Biochemistry, 34, 1995
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