8UD1
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![BU of 8ud1 by Molmil](/molmil-images/mine/8ud1) | High resolution in-situ structure of complex I in respiratory supercomplex (composite) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Zheng, W, Zhu, J, Zhang, K. | Deposit date: | 2023-09-27 | Release date: | 2024-06-19 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes. Nature, 631, 2024
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8UCI
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![BU of 8uci by Molmil](/molmil-images/mine/8uci) | Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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8UCH
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![BU of 8uch by Molmil](/molmil-images/mine/8uch) | Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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8UCG
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![BU of 8ucg by Molmil](/molmil-images/mine/8ucg) | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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8UCF
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![BU of 8ucf by Molmil](/molmil-images/mine/8ucf) | Thermophilic RNA Ligase from Palaeococcus pacificus K238G | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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8UCE
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![BU of 8uce by Molmil](/molmil-images/mine/8uce) | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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8UCC
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![BU of 8ucc by Molmil](/molmil-images/mine/8ucc) | IRAK4 in complex with compound 20 | Descriptor: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke. J.Med.Chem., 67, 2024
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8UC6
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![BU of 8uc6 by Molmil](/molmil-images/mine/8uc6) | Calpain-7:IST1 Complex | Descriptor: | Calpain-7, IST1 homolog | Authors: | Paine, E, Whitby, F.G, Hill, C.P, Sunquist, W.I. | Deposit date: | 2023-09-25 | Release date: | 2023-10-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | The Calpain-7 protease functions together with the ESCRT-III protein IST1 within the midbody to regulate the timing and completion of abscission. Elife, 12, 2023
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8UC1
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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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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 | Last modified: | 2024-07-24 | 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., 146, 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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8UAI
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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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8U9J
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![BU of 8u9j by Molmil](/molmil-images/mine/8u9j) | The crystal structure of iron-bound human ADO C18S C239S variant at 2.02 Angstrom | Descriptor: | 2-aminoethanethiol dioxygenase, FE (III) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Duan, R. | Deposit date: | 2023-09-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex. J.Am.Chem.Soc., 146, 2024
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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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8U9B
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8U93
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8U92
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8U90
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![BU of 8u90 by Molmil](/molmil-images/mine/8u90) | |