8K3I
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4ZZM
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![BU of 4zzm by Molmil](/molmil-images/mine/4zzm) | Human ERK2 in complex with an irreversible inhibitor | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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6GIM
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![BU of 6gim by Molmil](/molmil-images/mine/6gim) | Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18) | Descriptor: | DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium | Authors: | Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L. | Deposit date: | 2018-05-14 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast. Nucleic Acids Res., 45, 2017
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5AJ4
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![BU of 5aj4 by Molmil](/molmil-images/mine/5aj4) | Structure of the 55S mammalian mitoribosome. | Descriptor: | 28S RIBOSOMAL PROTEIN S18B, MITOCHONDRIAL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Greber, B.J, Bieri, P, Leibundgut, M, Leitner, A, Aebersold, R, Boehringer, D, Ban, N. | Deposit date: | 2015-02-20 | Release date: | 2015-04-22 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The complete structure of the 55S mammalian mitochondrial ribosome. Science, 348, 2015
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6GKW
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8TKM
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![BU of 8tkm by Molmil](/molmil-images/mine/8tkm) | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter | Descriptor: | 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit | Authors: | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | Deposit date: | 2023-07-25 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA. Biomolecules, 13, 2023
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7PJY
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![BU of 7pjy by Molmil](/molmil-images/mine/7pjy) | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 1 (CHI1-EF-G-GDP) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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5AFS
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![BU of 5afs by Molmil](/molmil-images/mine/5afs) | structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus | Descriptor: | ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ... | Authors: | Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K. | Deposit date: | 2015-01-23 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2. Biochim. Biophys. Acta, 1864, 2016
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4PIE
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![BU of 4pie by Molmil](/molmil-images/mine/4pie) | Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor | Descriptor: | ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ... | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | Deposit date: | 2014-05-08 | Release date: | 2014-09-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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7PJZ
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![BU of 7pjz by Molmil](/molmil-images/mine/7pjz) | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 2 (CHI2-EF-G-GDP) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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7PWD
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![BU of 7pwd by Molmil](/molmil-images/mine/7pwd) | Structure of an inhibited GRK2-G-beta and G-gamma complex | Descriptor: | 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide, Beta-adrenergic receptor kinase 1, CHLORIDE ION, ... | Authors: | Faucher, N, Tauchert, M.J, Konz Makino, D.L, Vuillard, L.M. | Deposit date: | 2021-10-06 | Release date: | 2021-10-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis of thieno[2,3-c]pyridine derived GRK2 inhibitors Monatsh Chem, 2022
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4YO2
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![BU of 4yo2 by Molmil](/molmil-images/mine/4yo2) | Structure of E2F8, an atypical member of E2F family of transcription factors | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*CP*CP*CP*GP*CP*CP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*GP*GP*CP*GP*GP*GP*AP*AP*AP*A)-3'), Transcription factor E2F8 | Authors: | Morgunova, E, Yin, Y, Jolma, A, Dave, K, Schmierer, B, Popov, A, Eremina, N, Nilsson, L, Taipale, J. | Deposit date: | 2015-03-11 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.073 Å) | Cite: | Structural insights into the DNA-binding specificity of E2F family transcription factors. Nat Commun, 6, 2015
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6GTU
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![BU of 6gtu by Molmil](/molmil-images/mine/6gtu) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine, ... | Authors: | Bertoletti, N, Heine, A, Marchais-Oberwinkler, S, Klebe, G. | Deposit date: | 2018-06-19 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | X-ray Crystallographic Fragment screening and Hit Optimization To Be Published
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7PJU
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![BU of 7pju by Molmil](/molmil-images/mine/7pju) | Structure of the 70S ribosome with tRNAs in hybrid state 2 (H2) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-11-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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7PJS
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![BU of 7pjs by Molmil](/molmil-images/mine/7pjs) | Structure of the 70S ribosome with tRNAs in the classical pre-translocation state and apramycin (C) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement Nat Commun, 12, 2021
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7PD3
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![BU of 7pd3 by Molmil](/molmil-images/mine/7pd3) | Structure of the human mitoribosomal large subunit in complex with NSUN4.MTERF4.GTPBP7 and MALSU1.L0R8F8.mt-ACP | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Chandrasekaran, V, Desai, N, Burton, N.O, Yang, H, Price, J, Miska, E.A, Ramakrishnan, V. | Deposit date: | 2021-08-04 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Visualizing formation of the active site in the mitochondrial ribosome. Elife, 10, 2021
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6GVF
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![BU of 6gvf by Molmil](/molmil-images/mine/6gvf) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | Descriptor: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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7PJV
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![BU of 7pjv by Molmil](/molmil-images/mine/7pjv) | Structure of the 70S-EF-G-GDP-Pi ribosome complex with tRNAs in hybrid state 1 (H1-EF-G-GDP-Pi) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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7PLD
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8TKD
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![BU of 8tkd by Molmil](/molmil-images/mine/8tkd) | Human Type 3 IP3 Receptor - Preactivated State (+IP3/ATP) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ... | Authors: | Paknejad, N, Sapuru, V, Hite, R.K. | Deposit date: | 2023-07-25 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor. Nat Commun, 14, 2023
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7PLB
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![BU of 7plb by Molmil](/molmil-images/mine/7plb) | Caulobacter crescentus xylonolactonase with D-xylose | Descriptor: | FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ... | Authors: | Paakkonen, J, Hakulinen, N, Rouvinen, J. | Deposit date: | 2021-08-30 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family. Protein Sci., 31, 2022
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7PLC
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![BU of 7plc by Molmil](/molmil-images/mine/7plc) | Caulobacter crescentus xylonolactonase with D-xylose, P21 space group | Descriptor: | FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ... | Authors: | Paakkonen, J, Hakulinen, N, Rouvinen, J. | Deposit date: | 2021-08-30 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family. Protein Sci., 31, 2022
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8TKI
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![BU of 8tki by Molmil](/molmil-images/mine/8tki) | Human Type 3 IP3 Receptor - Labile Resting State 2 (+IP3/ATP) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ... | Authors: | Paknejad, N, Sapuru, V, Hite, R.K. | Deposit date: | 2023-07-25 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor. Nat Commun, 14, 2023
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4PID
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![BU of 4pid by Molmil](/molmil-images/mine/4pid) | Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor | Descriptor: | ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ... | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | Deposit date: | 2014-05-08 | Release date: | 2014-09-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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8TKF
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![BU of 8tkf by Molmil](/molmil-images/mine/8tkf) | Human Type 3 IP3 Receptor - Activated State (+IP3/ATP/JD Ca2+) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Paknejad, N, Sapuru, V, Hite, R.K. | Deposit date: | 2023-07-25 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor. Nat Commun, 14, 2023
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