7S9X
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![BU of 7s9x by Molmil](/molmil-images/mine/7s9x) | Crystal structure of CDK2 liganded with compound WN378 | Descriptor: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-21 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) To Be Published
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7ZMN
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![BU of 7zmn by Molmil](/molmil-images/mine/7zmn) | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE ION, ... | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | Deposit date: | 2022-04-19 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZGS
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![BU of 7zgs by Molmil](/molmil-images/mine/7zgs) | |
7ZOG
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![BU of 7zog by Molmil](/molmil-images/mine/7zog) | |
7SMZ
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![BU of 7smz by Molmil](/molmil-images/mine/7smz) | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2021-10-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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7ZGN
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7ZP2
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![BU of 7zp2 by Molmil](/molmil-images/mine/7zp2) | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 | Descriptor: | Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... | Authors: | Wang, C, Zhang, B, Groves, M.R. | Deposit date: | 2022-04-26 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7SH4
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![BU of 7sh4 by Molmil](/molmil-images/mine/7sh4) | CD1a-phosphatidylglycerol binary structure | Descriptor: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wegrecki, M, Rossjohn, J. | Deposit date: | 2021-10-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a. Nat.Immunol., 24, 2023
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7ZST
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![BU of 7zst by Molmil](/molmil-images/mine/7zst) | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 | Descriptor: | 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... | Authors: | Wang, C, Zhang, B, Groves, M.R. | Deposit date: | 2022-05-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7SH5
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![BU of 7sh5 by Molmil](/molmil-images/mine/7sh5) | Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | Deposit date: | 2021-10-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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7ZH9
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![BU of 7zh9 by Molmil](/molmil-images/mine/7zh9) | Uba1 in complex with ATP | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structures of UBA6 explain its dual specificity for ubiquitin and FAT10. Nat Commun, 13, 2022
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7S3Y
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4Q8G
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7S3X
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![BU of 7s3x by Molmil](/molmil-images/mine/7s3x) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2021-09-08 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase To be published
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7S3Z
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![BU of 7s3z by Molmil](/molmil-images/mine/7s3z) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2021-09-08 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7297 Å) | Cite: | Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase To be published
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7ZK1
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![BU of 7zk1 by Molmil](/molmil-images/mine/7zk1) | |
7S40
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7ZID
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7SGI
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![BU of 7sgi by Molmil](/molmil-images/mine/7sgi) | |
7SAF
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![BU of 7saf by Molmil](/molmil-images/mine/7saf) | |
7SAY
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![BU of 7say by Molmil](/molmil-images/mine/7say) | |
8A8X
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![BU of 8a8x by Molmil](/molmil-images/mine/8a8x) | TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ | Descriptor: | E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide | Authors: | Luptak, J. | Deposit date: | 2022-06-24 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing. Viruses, 14, 2022
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8A56
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![BU of 8a56 by Molmil](/molmil-images/mine/8a56) | Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis | Descriptor: | 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ... | Authors: | Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A. | Deposit date: | 2022-06-14 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis. Antioxidants, 11, 2022
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7SMI
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![BU of 7smi by Molmil](/molmil-images/mine/7smi) | Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea | Descriptor: | L-galactose dehydrogenase | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | Deposit date: | 2021-10-26 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis. Plant Cell.Physiol., 63, 2022
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8A5L
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![BU of 8a5l by Molmil](/molmil-images/mine/8a5l) | TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ | Descriptor: | 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7 | Authors: | Luptak, J. | Deposit date: | 2022-06-15 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.622 Å) | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing. Viruses, 14, 2022
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