5DIQ
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![BU of 5diq by Molmil](/molmil-images/mine/5diq) | Crystal structure of human FPPS in complex with salicylic acid derivative 3a | Descriptor: | 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | Deposit date: | 2015-09-01 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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5DJP
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5DJV
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5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | Descriptor: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | Deposit date: | 2015-09-02 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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453D
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![BU of 453d by Molmil](/molmil-images/mine/453d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX | Descriptor: | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Neidle, S. | Deposit date: | 1999-02-18 | Release date: | 2000-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules J.Chem.Soc.,Chem.Commun., 1999
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6XE4
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![BU of 6xe4 by Molmil](/molmil-images/mine/6xe4) | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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4UUQ
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![BU of 4uuq by Molmil](/molmil-images/mine/4uuq) | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
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6LFH
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5DLV
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![BU of 5dlv by Molmil](/molmil-images/mine/5dlv) | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | Descriptor: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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8C9N
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![BU of 8c9n by Molmil](/molmil-images/mine/8c9n) | MiniCoV-ADDomer, a SARS-CoV-2 epitope presenting viral like particle | Descriptor: | Penton protein | Authors: | Bufton, J.C, Capin, J, Boruku, U, Garzoni, F, Schaffitzel, C, Berger, I. | Deposit date: | 2023-01-23 | Release date: | 2023-12-06 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | In vitro generated antibodies guide thermostable ADDomer nanoparticle design for nasal vaccination and passive immunization against SARS-CoV-2. Antib Ther, 6, 2023
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6DKK
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![BU of 6dkk by Molmil](/molmil-images/mine/6dkk) | Structure of BoNT | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | Authors: | Lam, K, Jin, R. | Deposit date: | 2018-05-29 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1. Nat Commun, 9, 2018
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6DBZ
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![BU of 6dbz by Molmil](/molmil-images/mine/6dbz) | Crystal structure of Nudix 1 from Arabidopsis thaliana complexed with isopentenyl diphosphate | Descriptor: | ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1 | Authors: | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | Deposit date: | 2018-05-03 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of isopentenyl phosphate to plant terpenoid metabolism. Nat Plants, 4, 2018
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5L21
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6R6M
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6R6N
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6R6O
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5ECQ
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![BU of 5ecq by Molmil](/molmil-images/mine/5ecq) | Crystal Structure of FIN219-FIP1 complex with JA, VAL and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ECP
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![BU of 5ecp by Molmil](/molmil-images/mine/5ecp) | Crystal Structure of FIN219-FIP1 complex with JA, MET and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25001574 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3L0N
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![BU of 3l0n by Molmil](/molmil-images/mine/3l0n) | Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP | Descriptor: | 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | Deposit date: | 2009-12-10 | Release date: | 2010-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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5ECN
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![BU of 5ecn by Molmil](/molmil-images/mine/5ecn) | Crystal Structure of FIN219-FIP1 complex with JA, Leu and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7DOC
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![BU of 7doc by Molmil](/molmil-images/mine/7doc) | Crystal structure of Zika NS2B-NS3 protease with compound 5 | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... | Authors: | Quek, J.P. | Deposit date: | 2020-12-14 | Release date: | 2021-04-14 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease. Acs Med.Chem.Lett., 12, 2021
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7A6I
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![BU of 7a6i by Molmil](/molmil-images/mine/7a6i) | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6J
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![BU of 7a6j by Molmil](/molmil-images/mine/7a6j) | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6K
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![BU of 7a6k by Molmil](/molmil-images/mine/7a6k) | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7B85
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![BU of 7b85 by Molmil](/molmil-images/mine/7b85) | Crystal Structure of EGFR-WT in Complex with TAK-788 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-12-12 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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