7FEA
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![BU of 7fea by Molmil](/molmil-images/mine/7fea) | PY14 in complex with Col-D | Descriptor: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase | Authors: | Lin, C.C, Ko, T.P, Huang, K.F, Yang, Y.L. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors. Commun Biol, 5, 2022
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8ED4
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![BU of 8ed4 by Molmil](/molmil-images/mine/8ed4) | Structure of the complex between the arsenite oxidase and its native electron acceptor cytochrome c552 from Pseudorhizobium sp. str. NT-26 | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AroA, AroB, ... | Authors: | Maher, M.J, Poddar, N. | Deposit date: | 2022-09-03 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The structure of the complex between the arsenite oxidase from Pseudorhizobium banfieldiae sp. strain NT-26 and its native electron acceptor cytochrome c 552. Acta Crystallogr D Struct Biol, 79, 2023
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6NMJ
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![BU of 6nmj by Molmil](/molmil-images/mine/6nmj) | Crystal Structure of Rat Ric-8A G alpha binding domain, "Paratone-N Immersed" | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans) | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | Deposit date: | 2019-01-11 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A. Structure, 27, 2019
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4WZ4
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![BU of 4wz4 by Molmil](/molmil-images/mine/4wz4) | Crystal structure of P. aeruginosa AmpC | Descriptor: | Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
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5K9T
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8K5Q
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![BU of 8k5q by Molmil](/molmil-images/mine/8k5q) | Crystal structure of YajQ STM0435 with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ | Authors: | Dai, Y, Zhang, M, Wang, W, Li, B. | Deposit date: | 2023-07-23 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella Virulence, 15, 2024
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6WY5
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![BU of 6wy5 by Molmil](/molmil-images/mine/6wy5) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.898 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WN9
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![BU of 6wn9 by Molmil](/molmil-images/mine/6wn9) | Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound | Descriptor: | Acetyltransferase, ZINC ION | Authors: | Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J. | Deposit date: | 2020-04-22 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus. J.Biol.Chem., 295, 2020
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8K5O
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![BU of 8k5o by Molmil](/molmil-images/mine/8k5o) | Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ... | Authors: | Wang, G.-L, Qi, C.-H, Yu, L.-J. | Deposit date: | 2023-07-22 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris. J Integr Plant Biol, 2024
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6WKW
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5V3G
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![BU of 5v3g by Molmil](/molmil-images/mine/5v3g) | PRDM9-allele-C ZnF8-13 | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*CP*AP*AP*CP*GP*CP*TP*CP*AP*CP*TP*GP*GP*GP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*CP*CP*CP*CP*AP*GP*TP*GP*AP*GP*CP*GP*TP*TP*GP*CP*CP*C)-3'), PR domain zinc finger protein 9, ... | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-03-07 | Release date: | 2017-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.416 Å) | Cite: | Structural basis of human PR/SET domain 9 (PRDM9) allele C-specific recognition of its cognate DNA sequence. J. Biol. Chem., 292, 2017
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6GH0
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5GWE
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![BU of 5gwe by Molmil](/molmil-images/mine/5gwe) | cytochrome P450 CREJ | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | Deposit date: | 2016-09-11 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6CNP
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8PFA
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![BU of 8pfa by Molmil](/molmil-images/mine/8pfa) | X-ray structure of the Thermus thermophilus K167R mutant of the PilF-GSPIIB domain in the c-di-GMP bound state | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, SULFATE ION, ... | Authors: | Neissner, K, Woehnert, J. | Deposit date: | 2023-06-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of the Thermus thermophilus K167R mutant of the PilF-GSPIIB domain in the c-di-GMP bound state To Be Published
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8ELC
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![BU of 8elc by Molmil](/molmil-images/mine/8elc) | Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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8SXH
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![BU of 8sxh by Molmil](/molmil-images/mine/8sxh) | |
6WY7
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![BU of 6wy7 by Molmil](/molmil-images/mine/6wy7) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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4RP9
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![BU of 4rp9 by Molmil](/molmil-images/mine/4rp9) | Bacterial vitamin C transporter UlaA/SgaT in C2 form | Descriptor: | ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, PENTAETHYLENE GLYCOL, ... | Authors: | Wang, J.W. | Deposit date: | 2014-10-29 | Release date: | 2015-03-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Crystal structure of a phosphorylation-coupled vitamin C transporter. Nat.Struct.Mol.Biol., 22, 2015
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6WXZ
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![BU of 6wxz by Molmil](/molmil-images/mine/6wxz) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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4TN2
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![BU of 4tn2 by Molmil](/molmil-images/mine/4tn2) | NS5b in complex with lactam-thiophene carboxylic acids | Descriptor: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | Authors: | Chopra, R. | Deposit date: | 2014-06-02 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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8OXO
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![BU of 8oxo by Molmil](/molmil-images/mine/8oxo) | ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | Descriptor: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
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8HKD
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6NMG
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![BU of 6nmg by Molmil](/molmil-images/mine/6nmg) | Crystal Structure of Rat Ric-8A G alpha binding domain | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans), SULFATE ION | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | Deposit date: | 2019-01-10 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A. Structure, 27, 2019
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5D8L
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![BU of 5d8l by Molmil](/molmil-images/mine/5d8l) | |