7SL7
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7SL1
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3KDU
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3KDT
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7STI
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7STJ
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7STK
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7STH
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1JBK
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6XNB
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2J9F
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![BU of 2j9f by Molmil](/molmil-images/mine/2j9f) | Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | Authors: | Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | Deposit date: | 2006-11-07 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism. J.Biol.Chem., 282, 2007
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8IMG
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![BU of 8img by Molmil](/molmil-images/mine/8img) | Human cGAS catalytic domain bound with C20 | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMF
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![BU of 8imf by Molmil](/molmil-images/mine/8imf) | Human cGAS catalytic domain bound with baicalein | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IME
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![BU of 8ime by Molmil](/molmil-images/mine/8ime) | Human cGAS catalytic domain bound with baicalin | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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6MK0
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![BU of 6mk0 by Molmil](/molmil-images/mine/6mk0) | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | Descriptor: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | van Agthoven, J, Arnaout, M.A. | Deposit date: | 2018-09-24 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations Acs Pharmacol Transl Sci, 2, 2019
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4QQF
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3LCA
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6LLB
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![BU of 6llb by Molmil](/molmil-images/mine/6llb) | Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, in complex with 6 nt RNA | Descriptor: | MPY-RNase J, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, ... | Authors: | Li, D.F, Hou, Y.J, Guo, L. | Deposit date: | 2019-12-22 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A newly identified duplex RNA unwinding activity of archaeal RNase J depends on processive exoribonucleolysis coupled steric occlusion by its structural archaeal loops. Rna Biol., 17, 2020
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4IJW
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![BU of 4ijw by Molmil](/molmil-images/mine/4ijw) | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2012-12-23 | Release date: | 2014-06-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 5, 2014
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4IJU
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![BU of 4iju by Molmil](/molmil-images/mine/4iju) | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol | Descriptor: | (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | Authors: | Sheriff, S. | Deposit date: | 2012-12-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 5, 2014
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6TGW
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4IJV
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![BU of 4ijv by Molmil](/molmil-images/mine/4ijv) | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2012-12-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 5, 2014
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5X3G
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5X3H
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4GAX
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![BU of 4gax by Molmil](/molmil-images/mine/4gax) | Crystal Structure of an alpha-Bisabolol synthase mutant | Descriptor: | Amorpha-4,11-diene synthase | Authors: | Li, J, Peng, Z. | Deposit date: | 2012-07-26 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9948 Å) | Cite: | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochem.J., 451, 2013
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