6WHR
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![BU of 6whr by Molmil](/molmil-images/mine/6whr) | GluN1b-GluN2B NMDA receptor in non-active 2 conformation at 4 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6WI0
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![BU of 6wi0 by Molmil](/molmil-images/mine/6wi0) | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 2 | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-07-15 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6WHT
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![BU of 6wht by Molmil](/molmil-images/mine/6wht) | GluN1b-GluN2B NMDA receptor in active conformation at 4.4 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4.39 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6YLC
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![BU of 6ylc by Molmil](/molmil-images/mine/6ylc) | Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors | Descriptor: | 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile, Mitogen-activated protein kinase 6 | Authors: | Graedler, U. | Deposit date: | 2020-04-07 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6YLY
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![BU of 6yly by Molmil](/molmil-images/mine/6yly) | pre-60S State NE2 (TAP-Flag-Nop53) | Descriptor: | 25S rRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ... | Authors: | Kater, L, Beckmann, R. | Deposit date: | 2020-04-07 | Release date: | 2020-07-29 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Construction of the Central Protuberance and L1 Stalk during 60S Subunit Biogenesis. Mol.Cell, 79, 2020
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6YLK
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![BU of 6ylk by Molmil](/molmil-images/mine/6ylk) | Cdk2(F80C) with Covalent Adduct TK22 at F80C | Descriptor: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2020-04-07 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6YLX
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![BU of 6ylx by Molmil](/molmil-images/mine/6ylx) | pre-60S State NE1 (TAP-Flag-Nop53) | Descriptor: | 25S rRNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, 5.8S rRNA, ... | Authors: | Kater, L, Beckmann, R. | Deposit date: | 2020-04-07 | Release date: | 2020-07-29 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Construction of the Central Protuberance and L1 Stalk during 60S Subunit Biogenesis. Mol.Cell, 79, 2020
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6YLL
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![BU of 6yll by Molmil](/molmil-images/mine/6yll) | Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors | Descriptor: | Mitogen-activated protein kinase 6, ~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine | Authors: | Graedler, U. | Deposit date: | 2020-04-07 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6YM1
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![BU of 6ym1 by Molmil](/molmil-images/mine/6ym1) | Mycobacterium tuberculosis FtsZ in complex with GDP | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
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6WH4
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![BU of 6wh4 by Molmil](/molmil-images/mine/6wh4) | Crystal structure of HTR2A with inverse agonist | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | Deposit date: | 2020-04-07 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6WHA
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![BU of 6wha by Molmil](/molmil-images/mine/6wha) | HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | Descriptor: | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile, G subunit q (Gi2-mini-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Skiniotis, G, Roth, B, Kim, K, Panova, O. | Deposit date: | 2020-04-07 | Release date: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6WHC
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![BU of 6whc by Molmil](/molmil-images/mine/6whc) | CryoEM Structure of the glucagon receptor with a dual-agonist peptide | Descriptor: | Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Sexton, P, Danev, R. | Deposit date: | 2020-04-07 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide. J.Biol.Chem., 295, 2020
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6WGO
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![BU of 6wgo by Molmil](/molmil-images/mine/6wgo) | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | Descriptor: | ACETATE ION, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2020-04-06 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules. Inorg.Chem., 60, 2021
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6YL6
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![BU of 6yl6 by Molmil](/molmil-images/mine/6yl6) | Cdk2(F80C) | Descriptor: | Cyclin-dependent kinase 2 | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2020-04-06 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6YKD
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![BU of 6ykd by Molmil](/molmil-images/mine/6ykd) | Human Pim-1 kinase in complex with an inhibitor identified by virtual screening | Descriptor: | ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | Authors: | Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G. | Deposit date: | 2020-04-06 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors. Mol Inform, 39, 2020
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6YL1
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![BU of 6yl1 by Molmil](/molmil-images/mine/6yl1) | Cdk2(F80C) with Covalent Adduct TK37 at F80C | Descriptor: | Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2020-04-06 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6YKY
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![BU of 6yky by Molmil](/molmil-images/mine/6yky) | Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors | Descriptor: | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Mitogen-activated protein kinase 6 | Authors: | Graedler, U. | Deposit date: | 2020-04-06 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6WGW
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![BU of 6wgw by Molmil](/molmil-images/mine/6wgw) | CYP101D1 D259E Hydroxycamphor bound | Descriptor: | 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-06 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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6WGN
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![BU of 6wgn by Molmil](/molmil-images/mine/6wgn) | Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 | Descriptor: | Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ... | Authors: | Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H. | Deposit date: | 2020-04-06 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf. Acs Cent.Sci., 6, 2020
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6WGT
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![BU of 6wgt by Molmil](/molmil-images/mine/6wgt) | Crystal structure of HTR2A with hallucinogenic agonist | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | Deposit date: | 2020-04-06 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6YJX
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![BU of 6yjx by Molmil](/molmil-images/mine/6yjx) | Structure of Hen egg-white lysozyme crystallized with PAS polypeptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2020-04-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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6YK3
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![BU of 6yk3 by Molmil](/molmil-images/mine/6yk3) | Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A | Descriptor: | (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2020-04-05 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci, 11, 2020
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6YK7
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![BU of 6yk7 by Molmil](/molmil-images/mine/6yk7) | Crystal structure of p38 in complex with SR43 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-05 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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6YK4
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![BU of 6yk4 by Molmil](/molmil-images/mine/6yk4) | Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A | Descriptor: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2020-04-05 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.999 Å) | Cite: | Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci, 11, 2020
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6YK2
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![BU of 6yk2 by Molmil](/molmil-images/mine/6yk2) | Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin- 2,4(1H,3H)-dione at resolution 1.60A | Descriptor: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2020-04-05 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci, 11, 2020
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