7OFE
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![BU of 7ofe by Molmil](/molmil-images/mine/7ofe) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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6Y5W
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![BU of 6y5w by Molmil](/molmil-images/mine/6y5w) | Crystal structure of the envelope glycoprotein complex of Andes virus in a near postfusion conformation | Descriptor: | Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-02-26 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6PT5
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![BU of 6pt5 by Molmil](/molmil-images/mine/6pt5) | Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-14 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6PVJ
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![BU of 6pvj by Molmil](/molmil-images/mine/6pvj) | Crystal structure of PhqK in complex with malbrancheamide C | Descriptor: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-07-20 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway. J.Am.Chem.Soc., 142, 2020
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7OF8
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![BU of 7of8 by Molmil](/molmil-images/mine/7of8) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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8FRJ
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![BU of 8frj by Molmil](/molmil-images/mine/8frj) | Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC0946 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera, ZINC ION | Authors: | Kottur, J, Aggarwal, A.K. | Deposit date: | 2023-01-07 | Release date: | 2023-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals. Plos Pathog., 19, 2023
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6PY5
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6Y57
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![BU of 6y57 by Molmil](/molmil-images/mine/6y57) | Structure of human ribosome in hybrid-PRE state | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | Deposit date: | 2020-02-25 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes. Cell Rep, 31, 2020
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5LO9
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![BU of 5lo9 by Molmil](/molmil-images/mine/5lo9) | Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ... | Authors: | Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | Deposit date: | 2016-08-08 | Release date: | 2016-10-12 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase. J.Biol.Chem., 291, 2016
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5M56
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![BU of 5m56 by Molmil](/molmil-images/mine/5m56) | Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.237 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
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7PAZ
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![BU of 7paz by Molmil](/molmil-images/mine/7paz) | REDUCED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-21 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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6YG1
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![BU of 6yg1 by Molmil](/molmil-images/mine/6yg1) | Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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7OMX
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![BU of 7omx by Molmil](/molmil-images/mine/7omx) | Thermus sp. 2.9 DarT in complex with carba-NAD+ | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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5K9Q
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![BU of 5k9q by Molmil](/molmil-images/mine/5k9q) | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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7OMV
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![BU of 7omv by Molmil](/molmil-images/mine/7omv) | Thermus sp. 2.9 DarT | Descriptor: | CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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7ON0
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![BU of 7on0 by Molmil](/molmil-images/mine/7on0) | Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA | Descriptor: | DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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7OMY
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![BU of 7omy by Molmil](/molmil-images/mine/7omy) | Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ... | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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6Q1P
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![BU of 6q1p by Molmil](/molmil-images/mine/6q1p) | Glucocerebrosidase in complex with pharmacological chaperone norIMX8 | Descriptor: | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | Deposit date: | 2019-08-05 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models. To Be Published
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6VSE
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7OMW
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![BU of 7omw by Molmil](/molmil-images/mine/7omw) | Thermus sp. 2.9 DarT in complex with NAD+ | Descriptor: | DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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6VV8
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![BU of 6vv8 by Molmil](/molmil-images/mine/6vv8) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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7OMU
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![BU of 7omu by Molmil](/molmil-images/mine/7omu) | Thermosipho africanus DarTG in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein | Authors: | Ariza, A. | Deposit date: | 2021-05-24 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
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7OMZ
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![BU of 7omz by Molmil](/molmil-images/mine/7omz) | |
6XM5
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![BU of 6xm5 by Molmil](/molmil-images/mine/6xm5) | Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-07-29 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6VVT
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![BU of 6vvt by Molmil](/molmil-images/mine/6vvt) | Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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