7MJT
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![BU of 7mjt by Molmil](/molmil-images/mine/7mjt) | KcsA open gate E71V mutant with Barium | Descriptor: | BARIUM ION, Fab heavy chain, Fab light chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-20 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7M56
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![BU of 7m56 by Molmil](/molmil-images/mine/7m56) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2021-03-22 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens To be published
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5V3A
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![BU of 5v3a by Molmil](/molmil-images/mine/5v3a) | |
5G6L
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![BU of 5g6l by Molmil](/molmil-images/mine/5g6l) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2016-06-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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6DVB
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![BU of 6dvb by Molmil](/molmil-images/mine/6dvb) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2018-06-23 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation. Nat Commun, 10, 2019
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5V3N
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![BU of 5v3n by Molmil](/molmil-images/mine/5v3n) | Structure of S. cerevisiae Ulp2-Tof2-Csm1 complex | Descriptor: | Monopolin complex subunit CSM1, Ulp2p,Topoisomerase 1-associated factor 2 chimera | Authors: | SIngh, N, Corbett, K.D. | Deposit date: | 2017-03-07 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Recruitment of a SUMO isopeptidase to rDNA stabilizes silencing complexes by opposing SUMO targeted ubiquitin ligase activity. Genes Dev., 31, 2017
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6DEY
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6K6M
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![BU of 6k6m by Molmil](/molmil-images/mine/6k6m) | Crystal structure of HIV-2 Nef protein | Descriptor: | Protein Nef | Authors: | Hirao, K, Andrews, S, Kuroki, K, Kusaka, H, Tadokoro, T, Kita, S, Ose, T, Rowland-Jones, S, Maenaka, K. | Deposit date: | 2019-06-04 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Structure of HIV-2 Nef Reveals Features Distinct from HIV-1 Involved in Immune Regulation. Iscience, 23, 2020
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5G51
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![BU of 5g51 by Molmil](/molmil-images/mine/5g51) | High resolution structure of the part of VP3 protein of Deformed Wing Virus forming P-domain | Descriptor: | DWV-VP3-P-DOMAIN | Authors: | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | Deposit date: | 2016-05-18 | Release date: | 2017-03-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of deformed wing virus, a major honey bee pathogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6K7Q
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![BU of 6k7q by Molmil](/molmil-images/mine/6k7q) | Crystal structure of thymidylate synthase from shrimp | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Ma, Q, Zang, K, Liu, C. | Deposit date: | 2019-06-08 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
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6KGP
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![BU of 6kgp by Molmil](/molmil-images/mine/6kgp) | LSD1-S2157 N5 adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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7MHC
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![BU of 7mhc by Molmil](/molmil-images/mine/7mhc) | Structure of human STING in complex with MK-1454 | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Lesburg, C.A. | Deposit date: | 2021-04-15 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A kinase-cGAS cascade to synthesize a therapeutic STING activator. Nature, 603, 2022
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7M9F
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5V6J
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![BU of 5v6j by Molmil](/molmil-images/mine/5v6j) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3 | Authors: | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | Deposit date: | 2017-03-16 | Release date: | 2017-08-16 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5H6V
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7MSK
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![BU of 7msk by Molmil](/molmil-images/mine/7msk) | ThuS glycosin S-glycosyltransferase | Descriptor: | Glyco_trans_2-like domain-containing protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Garg, N, Nair, S.K. | Deposit date: | 2021-05-11 | Release date: | 2022-04-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and mechanistic investigations of protein S-glycosyltransferases. Cell Chem Biol, 28, 2021
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5UI9
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![BU of 5ui9 by Molmil](/molmil-images/mine/5ui9) | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium | Descriptor: | (2S)-2,3-dihydroxy-2-methylpropanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2017-01-13 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium To be published
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6KK4
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![BU of 6kk4 by Molmil](/molmil-images/mine/6kk4) | Crystal structure of Zika NS2B-NS3 protease with compound 9 | Descriptor: | 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine, GLYCEROL, NS3 protease, ... | Authors: | Quek, J.P. | Deposit date: | 2019-07-23 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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5H88
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![BU of 5h88 by Molmil](/molmil-images/mine/5h88) | Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V | Descriptor: | mRojoA fluorescent protein | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | Deposit date: | 2015-12-23 | Release date: | 2016-01-27 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif. Acs Chem.Biol., 11, 2016
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7MFS
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![BU of 7mfs by Molmil](/molmil-images/mine/7mfs) | |
7MFN
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5HAR
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![BU of 5har by Molmil](/molmil-images/mine/5har) | OXA-163 beta-lactamase - S70G mutant | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5UQ9
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![BU of 5uq9 by Molmil](/molmil-images/mine/5uq9) | Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | Descriptor: | 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate | Authors: | Leonard, P.G. | Deposit date: | 2017-02-07 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation. Cell Rep, 26, 2019
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7MQT
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7MHE
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![BU of 7mhe by Molmil](/molmil-images/mine/7mhe) | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7957 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine, Fatty acid synthase | Authors: | Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N. | Deposit date: | 2021-04-15 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 To Be Published
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