4EAI
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![BU of 4eai by Molmil](/molmil-images/mine/4eai) | Co-crystal structure of an AMPK core with AMP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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8Q93
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![BU of 8q93 by Molmil](/molmil-images/mine/8q93) | Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01 | Descriptor: | Nanobody Re21D01, Nanobody Re30H02, Spike protein S1 | Authors: | Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8Q95
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![BU of 8q95 by Molmil](/molmil-images/mine/8q95) | Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05 | Descriptor: | Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1 | Authors: | Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8QB3
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![BU of 8qb3 by Molmil](/molmil-images/mine/8qb3) | ADDobody zinc containing condition | Descriptor: | ADDobody, ZINC ION | Authors: | Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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8Q94
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![BU of 8q94 by Molmil](/molmil-images/mine/8q94) | |
8PQE
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![BU of 8pqe by Molmil](/molmil-images/mine/8pqe) | c-KIT kinase domain in complex with avapritinib derivative 11 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQC
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![BU of 8pqc by Molmil](/molmil-images/mine/8pqc) | c-KIT kinase domain in complex with avapritinib derivative 9 | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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4E4E
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![BU of 4e4e by Molmil](/molmil-images/mine/4e4e) | |
8PQH
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![BU of 8pqh by Molmil](/molmil-images/mine/8pqh) | PDGFRA T674I mutant kinase domain in complex with avapritinib | Descriptor: | Avapritinib, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQI
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![BU of 8pqi by Molmil](/molmil-images/mine/8pqi) | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQJ
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![BU of 8pqj by Molmil](/molmil-images/mine/8pqj) | PDGFRA wild-type kinase domain | Descriptor: | Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQ9
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![BU of 8pq9 by Molmil](/molmil-images/mine/8pq9) | c-KIT kinase domain in complex with avapritinib | Descriptor: | Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQG
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![BU of 8pqg by Molmil](/molmil-images/mine/8pqg) | |
8PQA
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![BU of 8pqa by Molmil](/molmil-images/mine/8pqa) | c-KIT kinase domain in complex with avapritinib derivative 4 | Descriptor: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQF
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![BU of 8pqf by Molmil](/molmil-images/mine/8pqf) | c-KIT kinase domain in complex with avapritinib derivative 12 | Descriptor: | Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8QBX
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![BU of 8qbx by Molmil](/molmil-images/mine/8qbx) | Chimeric Adenovirus-derived dodecamer | Descriptor: | Penton protein | Authors: | Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C. | Deposit date: | 2023-08-25 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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8PQB
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![BU of 8pqb by Molmil](/molmil-images/mine/8pqb) | c-KIT kinase domain in complex with avapritinib derivative 8 | Descriptor: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQD
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![BU of 8pqd by Molmil](/molmil-images/mine/8pqd) | c-KIT kinase domain in complex with avapritinib derivative 10 | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQK
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![BU of 8pqk by Molmil](/molmil-images/mine/8pqk) | |
2UW6
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![BU of 2uw6 by Molmil](/molmil-images/mine/2uw6) | Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | Descriptor: | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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1N8M
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![BU of 1n8m by Molmil](/molmil-images/mine/1n8m) | Solution structure of Pi4, a four disulfide bridged scorpion toxin active on potassium channels | Descriptor: | Potassium channel blocking toxin 4 | Authors: | Guijarro, J.I, M'Barek, S, Olamendi-Portugal, T, Gomez-Lagunas, F, Garnier, D, Rochat, H, Possani, L.D, Sabatier, J.M, Delepierre, M. | Deposit date: | 2002-11-21 | Release date: | 2003-09-02 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of Pi4, a short four-disulfide-bridged scorpion toxin specific of potassium channels. Protein Sci., 12, 2003
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8PJN
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![BU of 8pjn by Molmil](/molmil-images/mine/8pjn) | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | Descriptor: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | Deposit date: | 2023-06-23 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies. Mol.Cell, 84, 2024
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8PK3
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![BU of 8pk3 by Molmil](/molmil-images/mine/8pk3) | CryoEM reconstruction of hemagglutinin HK68 of Influenza A virus bound to an Affimer reagent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer molecule (A31), ... | Authors: | Debski-Antoniak, O, Flynn, A, Klebl, D.P, Tiede, C, Muench, S, Tomlinson, D, Fontana, J. | Deposit date: | 2023-06-24 | Release date: | 2024-01-03 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Exploiting the Affimer platform against influenza A virus To Be Published
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8PMQ
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![BU of 8pmq by Molmil](/molmil-images/mine/8pmq) | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | Deposit date: | 2023-06-29 | Release date: | 2024-01-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies. Mol.Cell, 84, 2024
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3NXJ
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![BU of 3nxj by Molmil](/molmil-images/mine/3nxj) | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-07-13 | Release date: | 2011-08-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase
D99N from Pseudomonas Testosteroni (tKSI) To be Published
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