8FV4
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![BU of 8fv4 by Molmil](/molmil-images/mine/8fv4) | EGFR(T790M/V948R) in complex with compound 2 (LN5993) | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide, ... | Authors: | Ogboo, B.C, Beyett, T.S, Eck, M.J, Heppner, D.E. | Deposit date: | 2023-01-18 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem, 7, 2024
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8FV3
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![BU of 8fv3 by Molmil](/molmil-images/mine/8fv3) | EGFR(T790M/V948R) in complex with compound 1 (LN4503) | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ... | Authors: | Ogboo, B.C, Heppner, D.E. | Deposit date: | 2023-01-18 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem, 7, 2024
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8FV2
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![BU of 8fv2 by Molmil](/molmil-images/mine/8fv2) | Bromodomain of CBP liganded with CCS-1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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8FUR
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![BU of 8fur by Molmil](/molmil-images/mine/8fur) | Crystal structure of human IDO1 with compound 11 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea | Authors: | Critton, D.A, Lewis, H.A. | Deposit date: | 2023-01-18 | Release date: | 2023-04-26 | Last modified: | 2023-05-03 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg.Med.Chem.Lett., 88, 2023
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8FUQ
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8FUO
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![BU of 8fuo by Molmil](/molmil-images/mine/8fuo) | Fe-bound AibH1H2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, FE (III) ION | Authors: | Powell, M.M, Rittle, J. | Deposit date: | 2023-01-17 | Release date: | 2023-04-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. J.Am.Chem.Soc., 145, 2023
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8FUN
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![BU of 8fun by Molmil](/molmil-images/mine/8fun) | Enzymatically Active, Mn/Fe Metallated Form of AibH1H2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, FE (III) ION, ... | Authors: | Powell, M.M, Rittle, J. | Deposit date: | 2023-01-17 | Release date: | 2023-04-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. J.Am.Chem.Soc., 145, 2023
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8FUM
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![BU of 8fum by Molmil](/molmil-images/mine/8fum) | AibH1H2 metalated with Fe in the presence of Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Powell, M.M, Rittle, J. | Deposit date: | 2023-01-17 | Release date: | 2023-04-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. J.Am.Chem.Soc., 145, 2023
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8FUL
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8FUJ
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![BU of 8fuj by Molmil](/molmil-images/mine/8fuj) | HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2023-01-17 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation. Eur.J.Med.Chem., 255, 2023
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8FUI
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![BU of 8fui by Molmil](/molmil-images/mine/8fui) | HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group | Descriptor: | ACETATE ION, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Wong-Sam, A.E, Ghosh, A.K, Weber, I.T. | Deposit date: | 2023-01-17 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation. Eur.J.Med.Chem., 255, 2023
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8FUH
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8FU6
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![BU of 8fu6 by Molmil](/molmil-images/mine/8fu6) | GCGR-Gs complex in the presence of RAMP2 | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Krishna Kumar, K, O'Brien, E.S, Wang, H, Montabana, E, Kobilka, B.K. | Deposit date: | 2023-01-16 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Negative allosteric modulation of the glucagon receptor by RAMP2. Cell, 186, 2023
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8FU4
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![BU of 8fu4 by Molmil](/molmil-images/mine/8fu4) | HCMV US11 peptide binding to HLA-A*02:01 | Descriptor: | Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ... | Authors: | Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J. | Deposit date: | 2023-01-16 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids. Proc.Natl.Acad.Sci.USA, 121, 2024
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8FU3
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![BU of 8fu3 by Molmil](/molmil-images/mine/8fu3) | Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | Descriptor: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L | Authors: | Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. | Deposit date: | 2023-01-16 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Commun Biol, 6, 2023
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8FTG
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![BU of 8ftg by Molmil](/molmil-images/mine/8ftg) | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | Deposit date: | 2023-01-12 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Molecular recognition requires dimerization of a VHH antibody. Mabs, 15, 2023
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8FTD
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![BU of 8ftd by Molmil](/molmil-images/mine/8ftd) | Structure of Escherichia coli CedA in complex with transcription initiation complex | Descriptor: | CHAPSO, Cell division activator CedA, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Liu, M, Vassyliev, N, Nudler, E. | Deposit date: | 2023-01-11 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | General transcription factor from Escherichia coli with a distinct mechanism of action. Nat.Struct.Mol.Biol., 31, 2024
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8FTC
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![BU of 8ftc by Molmil](/molmil-images/mine/8ftc) | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2023-01-11 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism. Acs Bio Med Chem Au, 3, 2023
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8FT8
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![BU of 8ft8 by Molmil](/molmil-images/mine/8ft8) | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | Deposit date: | 2023-01-11 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits. Acta Crystallogr D Struct Biol, 79, 2023
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8FSZ
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![BU of 8fsz by Molmil](/molmil-images/mine/8fsz) | Full-length mouse 5-HT3A receptor in complex with ALB148471, open-like | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-11 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
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8FSP
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![BU of 8fsp by Molmil](/molmil-images/mine/8fsp) | Full-length mouse 5-HT3A receptor in complex with SMP100, open-like | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-10 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
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8FSB
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8FRZ
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![BU of 8frz by Molmil](/molmil-images/mine/8frz) | |
8FRX
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![BU of 8frx by Molmil](/molmil-images/mine/8frx) | Full-length mouse 5-HT3A receptor in complex with SMP100, pre-activated | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-09 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
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8FRW
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![BU of 8frw by Molmil](/molmil-images/mine/8frw) | Full-length mouse 5-HT3A receptor in complex with ALB148471, pre-activated | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-09 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
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