1K2M
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8JZM
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![BU of 8jzm by Molmil](/molmil-images/mine/8jzm) | The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210 | Descriptor: | Toll/interleukin-1 receptor domain-containing adapter protein | Authors: | Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B. | Deposit date: | 2023-07-05 | Release date: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2. J Enzyme Inhib Med Chem, 39, 2024
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8K3C
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![BU of 8k3c by Molmil](/molmil-images/mine/8k3c) | Nipah virus Attachment glycoprotein with 41-6 antibody fragment | Descriptor: | Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment | Authors: | Sun, M.M. | Deposit date: | 2023-07-15 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains. Nat Commun, 15, 2024
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4DQC
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![BU of 4dqc by Molmil](/molmil-images/mine/4dqc) | Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DIK
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![BU of 4dik by Molmil](/molmil-images/mine/4dik) | Flavo Di-iron protein H90A mutant from Thermotoga maritima | Descriptor: | CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON | Authors: | Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz Jr, D.M. | Deposit date: | 2012-01-31 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Histidine ligand variants of a flavo-diiron protein: effects on structure and activities. J.Biol.Inorg.Chem., 17, 2012
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4DIL
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![BU of 4dil by Molmil](/molmil-images/mine/4dil) | Flavo Di-iron protein H90N mutant from Thermotoga maritima | Descriptor: | CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON | Authors: | Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz, D.M. | Deposit date: | 2012-01-31 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Histidine ligand variants of a flavo-diiron protein: effects on structure and activities. J.Biol.Inorg.Chem., 17, 2012
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8OXI
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8OXH
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8OXL
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8PHY
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8OXK
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8OXJ
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8PFI
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![BU of 8pfi by Molmil](/molmil-images/mine/8pfi) | Crystal structure of human TLR8 in complex with compound 34 | Descriptor: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2023-06-16 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases. Acs Med.Chem.Lett., 14, 2023
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4CEV
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![BU of 4cev by Molmil](/molmil-images/mine/4cev) | ARGINASE FROM BACILLUS CALDEVELOX, L-ORNITHINE COMPLEX | Descriptor: | GUANIDINE, L-ornithine, MANGANESE (II) ION, ... | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-15 | Release date: | 1999-04-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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8PBG
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![BU of 8pbg by Molmil](/molmil-images/mine/8pbg) | Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
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8PBP
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8PBE
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8PBI
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![BU of 8pbi by Molmil](/molmil-images/mine/8pbi) | Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
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8PBM
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8PBQ
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8PBR
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8PBJ
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8PBN
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![BU of 8pbn by Molmil](/molmil-images/mine/8pbn) | Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
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8PBT
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8PBU
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![BU of 8pbu by Molmil](/molmil-images/mine/8pbu) | Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
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