7TX2
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![BU of 7tx2 by Molmil](/molmil-images/mine/7tx2) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, Phenylethanolamine N-methyltransferase | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2022-02-07 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase. Biochemistry, 62, 2023
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6ARG
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![BU of 6arg by Molmil](/molmil-images/mine/6arg) | Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions | Descriptor: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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6W0J
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![BU of 6w0j by Molmil](/molmil-images/mine/6w0j) | Closed-gate KcsA incubated in BaCl2/NaCl | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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7U08
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![BU of 7u08 by Molmil](/molmil-images/mine/7u08) | |
6O04
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![BU of 6o04 by Molmil](/molmil-images/mine/6o04) | M.tb MenD IntII bound with Inhibitor | Descriptor: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | Authors: | Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N. | Deposit date: | 2019-02-15 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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6W0A
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![BU of 6w0a by Molmil](/molmil-images/mine/6w0a) | Open-gate KcsA soaked in 1 mM BaCl2 | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.237 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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7TZL
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![BU of 7tzl by Molmil](/molmil-images/mine/7tzl) | The DH dehydratase domain of AlnB | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L. | Deposit date: | 2022-02-16 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase To Be Published
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5BZ9
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6W0V
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![BU of 6w0v by Molmil](/molmil-images/mine/6w0v) | The Crystal Structure of the Mutant Nuclease Domain of Pyocin S8 with its Cognate Immunity Protein | Descriptor: | Bacteriocin immunity protein, Pyocin S8 | Authors: | Turano, H, Gomes, F, Domingos, R.M, Netto, L.E.S. | Deposit date: | 2020-03-03 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Molecular Structure and Functional Analysis of Pyocin S8 from Pseudomonas aeruginosa Reveals the Essential Requirement of a Glutamate Residue in the H-N-H Motif for DNase Activity. J.Bacteriol., 202, 2020
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8DQH
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![BU of 8dqh by Molmil](/molmil-images/mine/8dqh) | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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6W0I
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![BU of 6w0i by Molmil](/molmil-images/mine/6w0i) | Closed-gate KcsA soaked in 10mM KCl/5mM BaCl2 | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0W
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![BU of 6w0w by Molmil](/molmil-images/mine/6w0w) | Structure of KHK in complex with compound 3 | Descriptor: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | Authors: | Jasti, J. | Deposit date: | 2020-03-03 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6ARF
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![BU of 6arf by Molmil](/molmil-images/mine/6arf) | Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with potassium ions | Descriptor: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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6PXU
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![BU of 6pxu by Molmil](/molmil-images/mine/6pxu) | Crystal structure of human GalNAc-T12 bound to a diglycosylated peptide, Mn2+, and UDP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GAGATGAGAGYYITPRTGAGA, ... | Authors: | Samara, N.L, Fernandez, A.J. | Deposit date: | 2019-07-27 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | The structure of the colorectal cancer-associated enzyme GalNAc-T12 reveals how nonconserved residues dictate its function. Proc.Natl.Acad.Sci.USA, 116, 2019
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5CAV
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![BU of 5cav by Molmil](/molmil-images/mine/5cav) | EGFR kinase domain with compound 41a | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-30 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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6W5L
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![BU of 6w5l by Molmil](/molmil-images/mine/6w5l) | 2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g | Descriptor: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 3C-LIKE PROTEASE | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-13 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
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7U0W
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6AUH
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![BU of 6auh by Molmil](/molmil-images/mine/6auh) | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-a | Descriptor: | N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine, Streptavidin | Authors: | Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S. | Deposit date: | 2017-09-01 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Artificial Metalloproteins Containing Co J. Am. Chem. Soc., 140, 2018
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7US3
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![BU of 7us3 by Molmil](/molmil-images/mine/7us3) | Structure of Putrescine N-hydroxylase Involved Complexed with NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putrescine N-hydroxylase, ... | Authors: | Tanner, J.J, Bogner, A.N. | Deposit date: | 2022-04-22 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Characterization of a Flavin-Dependent Putrescine N -Hydroxylase from Acinetobacter baumannii. Biochemistry, 61, 2022
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8QLG
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![BU of 8qlg by Molmil](/molmil-images/mine/8qlg) | Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1 | Descriptor: | AliD, Peptide 1, ZINC ION | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
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7U0V
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6NVR
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![BU of 6nvr by Molmil](/molmil-images/mine/6nvr) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L. | Deposit date: | 2019-02-05 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.562 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6W66
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![BU of 6w66 by Molmil](/molmil-images/mine/6w66) | The structure of the F64A, S172A mutant Keap1-BTB domain in complex with SKP1-FBXL17 | Descriptor: | F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, S-phase kinase-associated protein 1 | Authors: | Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M. | Deposit date: | 2020-03-16 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for dimerization quality control. Nature, 586, 2020
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7U01
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8QCW
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![BU of 8qcw by Molmil](/molmil-images/mine/8qcw) | |