5HMH
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![BU of 5hmh by Molmil](/molmil-images/mine/5hmh) | HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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7T5H
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![BU of 7t5h by Molmil](/molmil-images/mine/7t5h) | Structure of rabies virus phosphoprotein C-terminal domain, wild type | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Phosphoprotein, ... | Authors: | Zhan, J, Metcalfe, R.D, Gooley, P.R, Griffin, M.D.W. | Deposit date: | 2021-12-12 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular Basis of Functional Effects of Phosphorylation of the C-Terminal Domain of the Rabies Virus P Protein. J.Virol., 96, 2022
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7T5G
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![BU of 7t5g by Molmil](/molmil-images/mine/7t5g) | Structure of rabies virus phosphoprotein C-terminal domain, S210E mutant | Descriptor: | Phosphoprotein, SULFATE ION | Authors: | Zhan, J, Metcalfe, R.D, Gooley, P.R, Griffin, M.D.W. | Deposit date: | 2021-12-12 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Basis of Functional Effects of Phosphorylation of the C-Terminal Domain of the Rabies Virus P Protein. J.Virol., 96, 2022
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7UMX
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![BU of 7umx by Molmil](/molmil-images/mine/7umx) | Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7UM8
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![BU of 7um8 by Molmil](/molmil-images/mine/7um8) | Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-06 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7UMY
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![BU of 7umy by Molmil](/molmil-images/mine/7umy) | Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | Descriptor: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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4PFK
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![BU of 4pfk by Molmil](/molmil-images/mine/4pfk) | PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Evans, P.R, Hudson, P.J. | Deposit date: | 1988-01-25 | Release date: | 1989-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Phosphofructokinase: structure and control. Philos.Trans.R.Soc.London,Ser.B, 293, 1981
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1ZKG
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![BU of 1zkg by Molmil](/molmil-images/mine/1zkg) | |
1ZX8
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![BU of 1zx8 by Molmil](/molmil-images/mine/1zx8) | |
1ZCZ
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![BU of 1zcz by Molmil](/molmil-images/mine/1zcz) | |
6KUW
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![BU of 6kuw by Molmil](/molmil-images/mine/6kuw) | Crystal structure of human alpha2C adrenergic G protein-coupled receptor. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, Alpha-2C adrenergic receptor, ... | Authors: | Chen, X.Y, Wu, L.J, Wu, D, Zhong, G.S. | Deposit date: | 2019-09-02 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human alpha2C adrenergic G protein-coupled receptor. To Be Published
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2A6A
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![BU of 2a6a by Molmil](/molmil-images/mine/2a6a) | |
4XJ8
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![BU of 4xj8 by Molmil](/molmil-images/mine/4xj8) | |
4XHB
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![BU of 4xhb by Molmil](/molmil-images/mine/4xhb) | |
4XJW
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![BU of 4xjw by Molmil](/molmil-images/mine/4xjw) | |
4XJ9
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![BU of 4xj9 by Molmil](/molmil-images/mine/4xj9) | |
4XJZ
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![BU of 4xjz by Molmil](/molmil-images/mine/4xjz) | |
4XOG
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![BU of 4xog by Molmil](/molmil-images/mine/4xog) | |
4XIO
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![BU of 4xio by Molmil](/molmil-images/mine/4xio) | |
4XJU
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![BU of 4xju by Molmil](/molmil-images/mine/4xju) | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | Descriptor: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Brear, P. | Deposit date: | 2015-01-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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4XHX
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![BU of 4xhx by Molmil](/molmil-images/mine/4xhx) | |
4XIK
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![BU of 4xik by Molmil](/molmil-images/mine/4xik) | |
4XJA
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![BU of 4xja by Molmil](/molmil-images/mine/4xja) | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | Descriptor: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Brear, P. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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4XIL
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![BU of 4xil by Molmil](/molmil-images/mine/4xil) | |
4XMA
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![BU of 4xma by Molmil](/molmil-images/mine/4xma) | |