7NUD
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![BU of 7nud by Molmil](/molmil-images/mine/7nud) | Crystal structure of mouse PRMT6 in complex with inhibitor EML734 | Descriptor: | Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | Authors: | Bonnefond, L, Cavarelli, J. | Deposit date: | 2021-03-11 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach. J.Med.Chem., 65, 2022
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7NXG
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![BU of 7nxg by Molmil](/molmil-images/mine/7nxg) | Wax synthase 1 from Acinetobacter baylyi (AbWSD1) co-crystallized with myristic acid | Descriptor: | MYRISTIC ACID, O-acyltransferase WSD | Authors: | Vollheyde, K, Kuehnel, K, Lambrecht, F, Kawelke, S, Herrfurth, C, Feussner, I. | Deposit date: | 2021-03-18 | Release date: | 2022-03-30 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Bifunctional Wax Synthase 1 from Acinetobacter baylyi Suggests a Conformational Change upon Substrate Binding and Formation of Additional Substrate Binding Sites Acs Catalysis, 12, 2022
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7O4O
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![BU of 7o4o by Molmil](/molmil-images/mine/7o4o) | Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylhomocysteine | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase | Authors: | Gloster, T.M, Czekster, C.M, da Silva, R.G. | Deposit date: | 2021-04-06 | Release date: | 2022-04-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK. J.Biol.Chem., 298, 2022
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7O05
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![BU of 7o05 by Molmil](/molmil-images/mine/7o05) | |
7O3N
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![BU of 7o3n by Molmil](/molmil-images/mine/7o3n) | Crystal Structure of AcrB Single Mutant - 2 | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | Authors: | Ababou, A. | Deposit date: | 2021-04-02 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.561 Å) | Cite: | Crystal Structure of AcrB Single Mutant - 2 To Be Published
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7O36
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![BU of 7o36 by Molmil](/molmil-images/mine/7o36) | |
7O45
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![BU of 7o45 by Molmil](/molmil-images/mine/7o45) | Crystal structure of ADD domain of the human DNMT3B methyltransferase | Descriptor: | BROMIDE ION, Isoform 6 of DNA (cytosine-5)-methyltransferase 3B, ZINC ION | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Georgiev, P.G, Popov, V.O. | Deposit date: | 2021-04-05 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the DNMT3B ADD domain suggests the absence of a DNMT3A-like autoinhibitory mechanism. Biochem.Biophys.Res.Commun., 619, 2022
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7O2L
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![BU of 7o2l by Molmil](/molmil-images/mine/7o2l) | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | Deposit date: | 2021-03-30 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria. Nat.Chem., 14, 2022
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7O1N
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7O3K
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![BU of 7o3k by Molmil](/molmil-images/mine/7o3k) | |
4W4H
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![BU of 4w4h by Molmil](/molmil-images/mine/4w4h) | Escherichia coli tryptophanase in holo form | Descriptor: | Tryptophanase | Authors: | Goldgur, Y. | Deposit date: | 2014-08-14 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Escherichia coli tryptophanase in holo and `semi-holo' forms. Acta Crystallogr.,Sect.F, 71, 2015
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4W4K
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4W4U
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4W60
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![BU of 4w60 by Molmil](/molmil-images/mine/4w60) | The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis | Descriptor: | Late protein H7 | Authors: | Kolli, S, Meng, X, Wu, X, Shengjuler, D, Cameron, C.E, Xiang, Y, Deng, J. | Deposit date: | 2014-08-19 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication. J.Virol., 89, 2015
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7NZR
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![BU of 7nzr by Molmil](/molmil-images/mine/7nzr) | Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | Descriptor: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-03-24 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.284 Å) | Cite: | Crystal structure of chimeric carbonic anhydrase VA To Be Published
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4W64
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![BU of 4w64 by Molmil](/molmil-images/mine/4w64) | Hcp1 protein from Acinetobacter baumannii AB0057 | Descriptor: | SULFATE ION, Type VI secretion system effector, Hcp1 family | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2014-08-20 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Hcp from Acinetobacter baumannii: A Component of the Type VI Secretion System. Plos One, 10, 2015
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4URV
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![BU of 4urv by Molmil](/molmil-images/mine/4urv) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4USK
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![BU of 4usk by Molmil](/molmil-images/mine/4usk) | Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ... | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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4W78
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![BU of 4w78 by Molmil](/molmil-images/mine/4w78) | Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | Deposit date: | 2014-08-21 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
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4W8E
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![BU of 4w8e by Molmil](/molmil-images/mine/4w8e) | Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | Descriptor: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4W8K
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![BU of 4w8k by Molmil](/molmil-images/mine/4w8k) | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | Descriptor: | Cas1 protein, POTASSIUM ION | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | To be published To Be Published
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7O35
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7O3M
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![BU of 7o3m by Molmil](/molmil-images/mine/7o3m) | Crystal Structure of AcrB Single Mutant - 1 | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | Authors: | Ababou, A. | Deposit date: | 2021-04-02 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.551 Å) | Cite: | Crystal Structure of AcrB Single Mutant - 1 To Be Published
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7O3L
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![BU of 7o3l by Molmil](/molmil-images/mine/7o3l) | Crystal Structure of AcrB Double Mutant | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | Authors: | Ababou, A. | Deposit date: | 2021-04-02 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.526 Å) | Cite: | Crystal Structure of AcrB Double Mutant To Be Published
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7O5L
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![BU of 7o5l by Molmil](/molmil-images/mine/7o5l) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803 cocrystallized with adenosine in the presence of Rb+ cations | Descriptor: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | Authors: | Malecki, P.H, Imiolczyk, B, Barciszewski, J, Czyrko-Horczak, J, Brzezinski, K. | Deposit date: | 2021-04-08 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803. Acta Crystallogr D Struct Biol, 78, 2022
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