7JT6
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![BU of 7jt6 by Molmil](/molmil-images/mine/7jt6) | Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 2 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ... | Authors: | Pederick, J.P, Bean, J.H, Bruning, J.B. | Deposit date: | 2020-08-17 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents. Acs Chem.Biol., 16, 2021
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7L1J
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![BU of 7l1j by Molmil](/molmil-images/mine/7l1j) | |
5HIA
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![BU of 5hia by Molmil](/molmil-images/mine/5hia) | Human hypoxanthine-guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | Authors: | Guddat, L.W, Keough, D.T, Rejman, D. | Deposit date: | 2016-01-11 | Release date: | 2017-01-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 2017
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5HMK
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![BU of 5hmk by Molmil](/molmil-images/mine/5hmk) | HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 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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5HMI
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![BU of 5hmi by Molmil](/molmil-images/mine/5hmi) | HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 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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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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8JYT
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![BU of 8jyt by Molmil](/molmil-images/mine/8jyt) | Ancestral imine reducatase N560 | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ancestra imine reductase | Authors: | Zhu, X.X. | Deposit date: | 2023-07-03 | Release date: | 2023-10-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The structure of ancestral imine reductase N560. To Be Published
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8Q2D
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![BU of 8q2d by Molmil](/molmil-images/mine/8q2d) | |
8Q2C
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![BU of 8q2c by Molmil](/molmil-images/mine/8q2c) | |
1MEG
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![BU of 1meg by Molmil](/molmil-images/mine/1meg) | |
1A8I
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![BU of 1a8i by Molmil](/molmil-images/mine/1a8i) | SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE | Descriptor: | BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B | Authors: | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | Deposit date: | 1998-03-25 | Release date: | 1998-07-01 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding. Protein Sci., 7, 1998
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4XE9
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![BU of 4xe9 by Molmil](/molmil-images/mine/4xe9) | |
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) | |
4XOG
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![BU of 4xog by Molmil](/molmil-images/mine/4xog) | |
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) | |
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) | |
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) | |
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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4XMI
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![BU of 4xmi by Molmil](/molmil-images/mine/4xmi) | |