6U18
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![BU of 6u18 by Molmil](/molmil-images/mine/6u18) | Directed evolution of a biosensor selective for the macrolide antibiotic clarithromycin | Descriptor: | CITRATE ANION, CLARITHROMYCIN, Erythromycin resistance repressor protein | Authors: | Li, Y, Reed, M, Wright, H.T, Cropp, T.A, Williams, G. | Deposit date: | 2019-08-15 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Genetically Encoded Biosensors for Reporting the Methyltransferase-Dependent Biosynthesis of Semisynthetic Macrolide Antibiotics. Acs Synth Biol, 2021
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7S3Y
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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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6U1J
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![BU of 6u1j by Molmil](/molmil-images/mine/6u1j) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, D-ala-D-ala, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B, Thompson, A.P. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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5ZVQ
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6O7N
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7S40
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8BQU
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![BU of 8bqu by Molmil](/molmil-images/mine/8bqu) | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament | Descriptor: | Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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: | Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L. | Deposit date: | 2022-11-21 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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6U3V
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6A5X
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![BU of 6a5x by Molmil](/molmil-images/mine/6a5x) | FXR-LBD with HNC180 and SRC1 | Descriptor: | 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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6O8O
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![BU of 6o8o by Molmil](/molmil-images/mine/6o8o) | Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | Descriptor: | CHLORIDE ION, SULFATE ION, Transcriptional regulator, ... | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2019-03-11 | Release date: | 2020-04-01 | Last modified: | 2020-12-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
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7SGI
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6U4I
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7VDY
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![BU of 7vdy by Molmil](/molmil-images/mine/7vdy) | Crystal structure of O-ureidoserine racemase | Descriptor: | O-ureido-serine racemase, SULFATE ION | Authors: | Oda, K, Matoba, Y. | Deposit date: | 2021-09-07 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of O-ureidoserine racemase found in the d-cycloserine biosynthetic pathway. Proteins, 90, 2022
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8B4G
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![BU of 8b4g by Molmil](/molmil-images/mine/8b4g) | Structure of a fungal LPMO bound to ligands | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, CHLORIDE ION, ... | Authors: | Banerjee, S, Huang, Z, Brander, S, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2022-09-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Structure of a fungal LPMO bound to ligands To Be Published
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6L2O
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![BU of 6l2o by Molmil](/molmil-images/mine/6l2o) | Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-5bp-GTAC) complex | Descriptor: | DNA (5'-D(*CP*A*GP*CP*AP*GP*TP*AP*CP*TP*TP*AP*AP*AP*GP*TP*AP*CP*TP*GP*CP*TP*G)-3'), RE_R_Pab1 domain-containing protein | Authors: | Miyazono, K, Wang, D, Ito, T, Tanokura, M. | Deposit date: | 2019-10-05 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI. Nucleic Acids Res., 48, 2020
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8BBJ
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6U4O
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4ZN4
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6O9E
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![BU of 6o9e by Molmil](/molmil-images/mine/6o9e) | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | Deposit date: | 2019-03-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1. J.Med.Chem., 62, 2019
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8B8I
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6L38
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![BU of 6l38 by Molmil](/molmil-images/mine/6l38) | X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization | Descriptor: | 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-10-09 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.761 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7N3U
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![BU of 7n3u by Molmil](/molmil-images/mine/7n3u) | Crystal structure of human WEE1 kinase domain in complex with ZN-c3 | Descriptor: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase | Authors: | Lee, C.C. | Deposit date: | 2021-06-02 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6O9O
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![BU of 6o9o by Molmil](/molmil-images/mine/6o9o) | Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-03-14 | Release date: | 2020-03-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors To be published
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