7ZB9
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![BU of 7zb9 by Molmil](/molmil-images/mine/7zb9) | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo) | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, MAGNESIUM ION, ... | Authors: | Bukhdruker, S, Varaksa, T, Marin, E, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2022-03-23 | Release date: | 2023-01-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural insights into the effects of glycerol on ligand binding to cytochrome P450. Acta Crystallogr D Struct Biol, 79, 2023
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1N1N
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![BU of 1n1n by Molmil](/molmil-images/mine/1n1n) | Structure of Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the 8,9-Dihydro-8-(N7-guanyl)-9-Hydroxy-Aflatoxin B1 Adduct | Descriptor: | 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | Authors: | Stone, M.P, Giri, I. | Deposit date: | 2002-10-18 | Release date: | 2003-10-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Wobble dC.dA pairing 5' to the cationic guanine N7 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 adduct: implications for nontargeted AFB1 mutagenesis. Biochemistry, 42, 2003
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5B73
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![BU of 5b73 by Molmil](/molmil-images/mine/5b73) | Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain | Descriptor: | Protein kinase C-binding protein 1, ZINC ION | Authors: | Li, H, Li, Y, Zheng, X. | Deposit date: | 2016-06-03 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes Mol.Cell, 63, 2016
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4JWX
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![BU of 4jwx by Molmil](/molmil-images/mine/4jwx) | GluN2A ligand-binding core in complex with propyl-NHP5G | Descriptor: | (2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid, GluN2A | Authors: | Hansen, K.B, Tajima, N, Risgaard, R, Perszyk, R.E, Jorgensen, L, Vance, K.M, Ogden, K.K, Clausen, R.P, Furukawa, H, Traynelis, S.F. | Deposit date: | 2013-03-27 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural determinants of agonist efficacy at the glutamate binding site of N-methyl-d-aspartate receptors. Mol.Pharmacol., 84, 2013
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9FJN
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![BU of 9fjn by Molmil](/molmil-images/mine/9fjn) | Solution NMR structure of a peptide encompassing residues 2-19 of the human formin INF2 | Descriptor: | Inverted formin-2 | Authors: | Jimenez, M.A, Comas, L, Labat-de-Hoz, L, Correas, I, Alonso, M.A. | Deposit date: | 2024-05-31 | Release date: | 2024-09-11 | Method: | SOLUTION NMR | Cite: | Structure and function of the N-terminal extension of the formin INF2. Cell Mol Life Sci, 79, 2022
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4Y3U
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![BU of 4y3u by Molmil](/molmil-images/mine/4y3u) | The structure of phospholamban bound to the calcium pump SERCA1a | Descriptor: | Cardiac phospholamban, POTASSIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Authors: | Hurley, T.D. | Deposit date: | 2015-02-10 | Release date: | 2015-02-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum. J. Biol. Chem., 288, 2013
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7LCI
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![BU of 7lci by Molmil](/molmil-images/mine/7lci) | PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M. | Deposit date: | 2021-01-11 | Release date: | 2021-01-20 | Last modified: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Evolving cryo-EM structural approaches for GPCR drug discovery. Structure, 29, 2021
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7LCJ
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![BU of 7lcj by Molmil](/molmil-images/mine/7lcj) | PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | Authors: | Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M. | Deposit date: | 2021-01-11 | Release date: | 2021-01-20 | Last modified: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Evolving cryo-EM structural approaches for GPCR drug discovery. Structure, 29, 2021
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5AAE
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![BU of 5aae by Molmil](/molmil-images/mine/5aae) | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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7LCK
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![BU of 7lck by Molmil](/molmil-images/mine/7lck) | PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R) | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | Authors: | Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M. | Deposit date: | 2021-01-11 | Release date: | 2021-01-20 | Last modified: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Evolving cryo-EM structural approaches for GPCR drug discovery. Structure, 29, 2021
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5EAJ
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![BU of 5eaj by Molmil](/molmil-images/mine/5eaj) | Crystal structure of DHFR in 0% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2015-10-16 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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5A6G
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![BU of 5a6g by Molmil](/molmil-images/mine/5a6g) | Cryo-EM structure of the Slo2.2 Na-activated K channel | Descriptor: | PORE DOMAIN OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, S1-S4 DOMAIN OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1 | Authors: | Hite, R.K, Yuan, P, Li, Z, Hsuing, Y, Walz, T, MacKinnon, R. | Deposit date: | 2015-06-25 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-Electron Microscopy Structure of the Slo2.2 Na1-Activated K1 Channel Nature, 527, 2015
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5E9Z
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![BU of 5e9z by Molmil](/molmil-images/mine/5e9z) | Cytochrome P450 BM3 mutant M11 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | Deposit date: | 2015-10-15 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
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7LBE
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![BU of 7lbe by Molmil](/molmil-images/mine/7lbe) | CryoEM structure of the HCMV Trimer gHgLgO in complex with neutralizing fabs 13H11 and MSL-109 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ... | Authors: | Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C. | Deposit date: | 2021-01-07 | Release date: | 2021-03-10 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry. Cell, 184, 2021
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7LBF
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![BU of 7lbf by Molmil](/molmil-images/mine/7lbf) | CryoEM structure of the HCMV Trimer gHgLgO in complex with human Platelet-derived growth factor receptor alpha and neutralizing fabs 13H11 and MSL-109 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ... | Authors: | Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C. | Deposit date: | 2021-01-07 | Release date: | 2021-03-10 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry. Cell, 184, 2021
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR6
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![BU of 5dr6 by Molmil](/molmil-images/mine/5dr6) | Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5AAG
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![BU of 5aag by Molmil](/molmil-images/mine/5aag) | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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7YQB
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![BU of 7yqb by Molmil](/molmil-images/mine/7yqb) | |
7YPU
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![BU of 7ypu by Molmil](/molmil-images/mine/7ypu) | OrfE-CoA-glycylthricin complex | Descriptor: | Acetyltransferase, COENZYME A, [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-08-04 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.357 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7YLF
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![BU of 7ylf by Molmil](/molmil-images/mine/7ylf) | |
5CC9
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![BU of 5cc9 by Molmil](/molmil-images/mine/5cc9) | |
7YPV
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![BU of 7ypv by Molmil](/molmil-images/mine/7ypv) | Crystal structure of OrE-ST-F | Descriptor: | Acetyltransferase, Streptothricin F | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-08-04 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7YLG
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7YQG
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![BU of 7yqg by Molmil](/molmil-images/mine/7yqg) | |