8UAT
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![BU of 8uat by Molmil](/molmil-images/mine/8uat) | Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex | Descriptor: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAS
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![BU of 8uas by Molmil](/molmil-images/mine/8uas) | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAR
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![BU of 8uar by Molmil](/molmil-images/mine/8uar) | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | Descriptor: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAQ
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![BU of 8uaq by Molmil](/molmil-images/mine/8uaq) | Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21 | Descriptor: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | Authors: | Chen, Y, Tesmer, J.J.G. | Deposit date: | 2023-09-21 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur.J.Med.Chem., 264, 2023
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8UAP
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![BU of 8uap by Molmil](/molmil-images/mine/8uap) | Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441 | Descriptor: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | Authors: | Chen, Y, Tesmer, J.J.G. | Deposit date: | 2023-09-21 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur.J.Med.Chem., 264, 2023
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8UAO
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![BU of 8uao by Molmil](/molmil-images/mine/8uao) | DpHF18 filament | Descriptor: | DpHF18 | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-21 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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8UAN
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![BU of 8uan by Molmil](/molmil-images/mine/8uan) | The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom | Descriptor: | 2-aminoethanethiol dioxygenase, COBALT (II) ION, GLYCEROL | Authors: | Liu, A, Li, J, Duan, R, Shin, I. | Deposit date: | 2023-09-21 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex. J.Am.Chem.Soc., 2024
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8UAK
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![BU of 8uak by Molmil](/molmil-images/mine/8uak) | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | Authors: | Romanowski, M.J, Lam, J, Visser, M. | Deposit date: | 2023-09-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma. J.Med.Chem., 67, 2024
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8UAJ
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![BU of 8uaj by Molmil](/molmil-images/mine/8uaj) | Succinate Bound Crystal Structure of Thermus scotoductus SA-01 Ene-reductase | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, SUCCINIC ACID | Authors: | Wilson, L.A, Guddat, L, Schenk, G, Scott, C. | Deposit date: | 2023-09-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAI
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![BU of 8uai by Molmil](/molmil-images/mine/8uai) | |
8UAF
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![BU of 8uaf by Molmil](/molmil-images/mine/8uaf) | E. coli Sir2_HerA complex (12:6) bound with NAD+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-09-20 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8UAE
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![BU of 8uae by Molmil](/molmil-images/mine/8uae) | E. coli Sir2_HerA complex (12:6) with ATPgamaS | Descriptor: | MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | Deposit date: | 2023-09-20 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense. Mol.Cell, 83, 2023
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8UAC
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![BU of 8uac by Molmil](/molmil-images/mine/8uac) | CATHEPSIN L IN COMPLEX WITH AC1115 | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | Deposit date: | 2023-09-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | CATHEPSIN L IN COMPLEX WITH AC1115 To be Published
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8UAB
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![BU of 8uab by Molmil](/molmil-images/mine/8uab) | SARS-CoV-2 main protease (Mpro) complex with AC1115 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | DuPrez, K.T, Chao, A, Han, F.Q. | Deposit date: | 2023-09-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | SARS-CoV-2 main protease (Mpro) complex with AC1115 To Be Published
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8UA5
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![BU of 8ua5 by Molmil](/molmil-images/mine/8ua5) | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776) | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | Deposit date: | 2023-09-20 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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8UA2
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![BU of 8ua2 by Molmil](/molmil-images/mine/8ua2) | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment) | Descriptor: | IODIDE ION, RL2 | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | Deposit date: | 2023-09-20 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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8U9O
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![BU of 8u9o by Molmil](/molmil-images/mine/8u9o) | |
8U9J
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![BU of 8u9j by Molmil](/molmil-images/mine/8u9j) | |
8U9G
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![BU of 8u9g by Molmil](/molmil-images/mine/8u9g) | Human Class I MHC HLA-A2 bound to sorting nexin 24 (127-135) neoantigen KLSHQLVLL | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | Deposit date: | 2023-09-19 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
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8U9F
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![BU of 8u9f by Molmil](/molmil-images/mine/8u9f) | Crystal structure of Bacteroides thetaiotamicron BT1285 in complex with NaI | Descriptor: | 1,2-ETHANEDIOL, Endo-beta-N-acetylglucosaminidase, IODIDE ION, ... | Authors: | Sastre, D.E, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-19 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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8U9B
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8U9A
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![BU of 8u9a by Molmil](/molmil-images/mine/8u9a) | Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound) | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, 2,3-dihydroxybenzoate-2,3-dehydrogenase, CHLORIDE ION | Authors: | Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2023-09-18 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound) To be published
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8U99
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![BU of 8u99 by Molmil](/molmil-images/mine/8u99) | |
8U98
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![BU of 8u98 by Molmil](/molmil-images/mine/8u98) | |
8U97
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![BU of 8u97 by Molmil](/molmil-images/mine/8u97) | |