8HAY
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![BU of 8hay by Molmil](/molmil-images/mine/8hay) | d4-bound btDPP4 | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-10-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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6XP6
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![BU of 6xp6 by Molmil](/molmil-images/mine/6xp6) | 3C11-DQ2-glia-a2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3.C11 IgH Fab, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2020-07-08 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation. Sci Immunol, 6, 2021
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8C89
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![BU of 8c89 by Molmil](/molmil-images/mine/8c89) | SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | Descriptor: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | Deposit date: | 2023-01-19 | Release date: | 2024-01-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.41 Å) | Cite: | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity. Nat Commun, 15, 2024
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6S03
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![BU of 6s03 by Molmil](/molmil-images/mine/6s03) | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | Descriptor: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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7PMU
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![BU of 7pmu by Molmil](/molmil-images/mine/7pmu) | Crystal structure of native Iripin-8 | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ... | Authors: | Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A. | Deposit date: | 2021-09-02 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement. Int J Mol Sci, 22, 2021
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7PMY
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![BU of 7pmy by Molmil](/molmil-images/mine/7pmy) | HsPepT2 bound to Ala-Phe in the inward facing partially occluded conformation | Descriptor: | ALA-PHE, Solute carrier family 15 member 2 | Authors: | Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C. | Deposit date: | 2021-09-04 | Release date: | 2021-10-20 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes. Sci Adv, 7, 2021
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8C4C
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![BU of 8c4c by Molmil](/molmil-images/mine/8c4c) | F-actin decorated by SipA497-669 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Yuan, B, Wald, J, Marlovits, T.C. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for subversion of host cell actin cytoskeleton during Salmonella infection. Sci Adv, 9, 2023
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7PN1
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![BU of 7pn1 by Molmil](/molmil-images/mine/7pn1) | Apo HsPepT1 in the outward facing open conformation | Descriptor: | Solute carrier family 15 member 1 | Authors: | Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C. | Deposit date: | 2021-09-04 | Release date: | 2021-10-20 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes. Sci Adv, 7, 2021
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7PMW
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![BU of 7pmw by Molmil](/molmil-images/mine/7pmw) | HsPepT1 bound to Ala-Phe in the outward facing occluded conformation | Descriptor: | ALA-PHE, Solute carrier family 15 member 1 | Authors: | Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C. | Deposit date: | 2021-09-03 | Release date: | 2021-10-20 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes. Sci Adv, 7, 2021
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7PMX
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![BU of 7pmx by Molmil](/molmil-images/mine/7pmx) | HsPepT1 bound to Ala-Phe in the outward facing open conformation | Descriptor: | ALA-PHE, Solute carrier family 15 member 1 | Authors: | Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C. | Deposit date: | 2021-09-03 | Release date: | 2021-10-20 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes. Sci Adv, 7, 2021
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8C4E
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![BU of 8c4e by Molmil](/molmil-images/mine/8c4e) | F-actin decorated by SipA426-685 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Yuan, B, Wald, J, Marlovits, T.C. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for subversion of host cell actin cytoskeleton during Salmonella infection. Sci Adv, 9, 2023
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6S89
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![BU of 6s89 by Molmil](/molmil-images/mine/6s89) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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8P1O
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![BU of 8p1o by Molmil](/molmil-images/mine/8p1o) | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | Authors: | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | Deposit date: | 2023-05-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett., 15, 2024
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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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7PLD
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![BU of 7pld by Molmil](/molmil-images/mine/7pld) | |
7PXH
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![BU of 7pxh by Molmil](/molmil-images/mine/7pxh) | Emodepside-bound Drosophila Slo channel | Descriptor: | (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, ... | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM. Nat Commun, 12, 2021
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7PXG
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![BU of 7pxg by Molmil](/molmil-images/mine/7pxg) | Verruculogen-bound Drosophila Slo channel | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM. Nat Commun, 12, 2021
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7PXF
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![BU of 7pxf by Molmil](/molmil-images/mine/7pxf) | Ca2+ free Drosophila Slo channel | Descriptor: | Isoform J of Calcium-activated potassium channel slowpoke, MAGNESIUM ION, POTASSIUM ION | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM. Nat Commun, 12, 2021
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7PXE
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![BU of 7pxe by Molmil](/molmil-images/mine/7pxe) | Ca2+ bound Drosophila Slo channel | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM. Nat Commun, 12, 2021
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6S8A
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![BU of 6s8a by Molmil](/molmil-images/mine/6s8a) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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7PP7
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![BU of 7pp7 by Molmil](/molmil-images/mine/7pp7) | Thunberia alata 16:0-ACP desaturase | Descriptor: | Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION | Authors: | Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. | Deposit date: | 2021-09-13 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase. Plant Physiol., 188, 2022
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8UPT
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![BU of 8upt by Molmil](/molmil-images/mine/8upt) | Candidatus Methanomethylophilus alvus tRNAPyl in A-site of ribosome | Descriptor: | RNA (71-MER) | Authors: | Krahn, N, Zhang, J, Melnikov, S.V, Tharp, J.M, Villa, A, Patel, A, Howard, R.J, Gabir, H, Patel, T.R, Stetefeld, J, Puglisi, J, Soll, D. | Deposit date: | 2023-10-23 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut. Nucleic Acids Res., 52, 2024
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6YLR
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![BU of 6ylr by Molmil](/molmil-images/mine/6ylr) | Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1954546 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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8DKN
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![BU of 8dkn by Molmil](/molmil-images/mine/8dkn) | PPARg bound to T0070907 and Co-R peptide | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | Authors: | Larsen, N.A, Tsai, J. | Deposit date: | 2022-07-05 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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