4UYN
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![BU of 4uyn by Molmil](/molmil-images/mine/4uyn) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4WE3
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![BU of 4we3 by Molmil](/molmil-images/mine/4we3) | STRUCTURE OF THE BINARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP MONOCLINIC CRYSTAL FORM | Descriptor: | Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | Deposit date: | 2014-09-09 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE to be published
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4UWH
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![BU of 4uwh by Molmil](/molmil-images/mine/4uwh) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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5X6O
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![BU of 5x6o by Molmil](/molmil-images/mine/5x6o) | Intact ATR/Mec1-ATRIP/Ddc2 complex | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | Authors: | Wang, X, Ran, T, Cai, G. | Deposit date: | 2017-02-22 | Release date: | 2017-12-20 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | 3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP. Science, 358, 2017
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5Y0E
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![BU of 5y0e by Molmil](/molmil-images/mine/5y0e) | |
5WVN
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![BU of 5wvn by Molmil](/molmil-images/mine/5wvn) | Crystal structure of MBS-BaeS fusion protein | Descriptor: | Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION | Authors: | Wang, W, Zhang, Y, Ran, T, Xu, D. | Deposit date: | 2016-12-26 | Release date: | 2018-01-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14 Proteins, 85, 2017
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4V0I
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![BU of 4v0i by Molmil](/molmil-images/mine/4v0i) | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | Deposit date: | 2014-09-16 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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5WVM
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![BU of 5wvm by Molmil](/molmil-images/mine/5wvm) | Crystal structure of baeS cocrystallized with 2 mM indole | Descriptor: | Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION | Authors: | Wang, W, Zhang, Y, Rang, T, Xu, D. | Deposit date: | 2016-12-26 | Release date: | 2018-01-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14 Proteins, 85, 2017
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7E2P
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![BU of 7e2p by Molmil](/molmil-images/mine/7e2p) | The Crystal Structure of Mycoplasma bovis enolase | Descriptor: | Enolase | Authors: | Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Shao, G, Xiong, Q, Feng, Z. | Deposit date: | 2021-02-07 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases. Front Mol Biosci, 8, 2022
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7E2Q
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![BU of 7e2q by Molmil](/molmil-images/mine/7e2q) | Crystal structure of Mycoplasma pneumoniae Enolase | Descriptor: | Enolase, SULFATE ION | Authors: | Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z. | Deposit date: | 2021-02-07 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases. Front Mol Biosci, 8, 2022
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5CIO
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![BU of 5cio by Molmil](/molmil-images/mine/5cio) | Crystal structure of PqqF | Descriptor: | ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF | Authors: | Wei, Q, Xu, D, Ran, T, Wang, W. | Deposit date: | 2015-07-13 | Release date: | 2016-06-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway J.Biol.Chem., 291, 2016
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5CZW
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![BU of 5czw by Molmil](/molmil-images/mine/5czw) | Crystal structure of myroilysin | Descriptor: | Myroilysin, ZINC ION | Authors: | Zhou, J, Ran, T, Xu, D, Wang, W. | Deposit date: | 2015-08-01 | Release date: | 2016-08-03 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism J. Biol. Chem., 292, 2017
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5D7W
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![BU of 5d7w by Molmil](/molmil-images/mine/5d7w) | Crystal structure of serralysin | Descriptor: | CALCIUM ION, GLYCEROL, Serralysin, ... | Authors: | Wu, D, Ran, T, Xu, D.Q, Wang, W. | Deposit date: | 2015-08-14 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of a thermostable serralysin from Serratia sp. FS14 at 1.1 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
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7CLU
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![BU of 7clu by Molmil](/molmil-images/mine/7clu) | PigF with SAH | Descriptor: | ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein | Authors: | Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W. | Deposit date: | 2020-07-22 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism. Iucrj, 9, 2022
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4I35
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![BU of 4i35 by Molmil](/molmil-images/mine/4i35) | The crystal structure of serralysin | Descriptor: | CALCIUM ION, GLYCEROL, HEXANE, ... | Authors: | Zou, M, Ran, T, Xu, D, Wang, W. | Deposit date: | 2012-11-24 | Release date: | 2013-11-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | The crystal structure of serralysin To be Published
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8GOY
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![BU of 8goy by Molmil](/molmil-images/mine/8goy) | SulE P44R | Descriptor: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GOL
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![BU of 8gol by Molmil](/molmil-images/mine/8gol) | crystal structure of SulE | Descriptor: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, Ran, T, Wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GP0
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![BU of 8gp0 by Molmil](/molmil-images/mine/8gp0) | crystal structure of SulE | Descriptor: | Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL | Authors: | Liu, B, Ran, T, wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8H0M
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![BU of 8h0m by Molmil](/molmil-images/mine/8h0m) | Crystal structure of VioD | Descriptor: | (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Xu, M, Ran, T, Wang, W. | Deposit date: | 2022-09-29 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway. Proteins, 91, 2023
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8H4E
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![BU of 8h4e by Molmil](/molmil-images/mine/8h4e) | Blasnase-T13A/P55N with D-asn | Descriptor: | D-ASPARAGINE, FORMIC ACID, L-asparaginase, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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8H46
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![BU of 8h46 by Molmil](/molmil-images/mine/8h46) | Blasnase-T13A/P55N with L-asn | Descriptor: | ASPARAGINE, FORMIC ACID, GLYCEROL, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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8H47
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![BU of 8h47 by Molmil](/molmil-images/mine/8h47) | Blasnase-T13A/P55F | Descriptor: | FORMIC ACID, GLYCEROL, L-asparaginase, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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8H4B
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![BU of 8h4b by Molmil](/molmil-images/mine/8h4b) | Blasnase-T13A/M57P with L-asn | Descriptor: | ASPARAGINE, FORMIC ACID, L-asparaginase, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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8H4D
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![BU of 8h4d by Molmil](/molmil-images/mine/8h4d) | Blasnase-T13A/M57N | Descriptor: | FORMIC ACID, GLYCEROL, L-asparaginase, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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8H44
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![BU of 8h44 by Molmil](/molmil-images/mine/8h44) | Blasnase-P55N | Descriptor: | FORMIC ACID, L-asparaginase, MAGNESIUM ION | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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