5DLT
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![BU of 5dlt by Molmil](/molmil-images/mine/5dlt) | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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7OZM
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![BU of 7ozm by Molmil](/molmil-images/mine/7ozm) | Crystal Structure of mtbMGL K74A (Closed Cap Conformation) | Descriptor: | ISOPROPYL ALCOHOL, Monoacylglycerol lipase | Authors: | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | Deposit date: | 2021-06-28 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket. Biomolecules, 11, 2021
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7MGC
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![BU of 7mgc by Molmil](/molmil-images/mine/7mgc) | Concanavalin A bound to a DNA glycoconjugate, G(Man-T)AC | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MGL
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![BU of 7mgl by Molmil](/molmil-images/mine/7mgl) | Structure of human TRPML1 with ML-SI3 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | Authors: | Schmiege, P, Li, X. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Atomic insights into ML-SI3 mediated human TRPML1 inhibition. Structure, 29, 2021
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1N46
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![BU of 1n46 by Molmil](/molmil-images/mine/1n46) | CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC | Descriptor: | Thyroid hormone receptor Beta-1, [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL | Authors: | Dow, R.L, Schneider, S.R, Paight, E.S, Hank, R.F, Chiang, P, Cornelius, P, Lee, E, Newsome, W.P, Swick, A.G, Spitzer, J, Hargrove, D.M, Patterson, T.A, Pandit, J, Chrunyk, B.A, LeMotte, P.K, Danley, D.E, Rosner, M.H, Ammirati, M.J, Simons, S.P, Schulte, G.K, Tate, B.F, DaSilva-Jardine, P. | Deposit date: | 2002-10-30 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Novel Series of 6-Azauracil-Based Thyroid Hormone Receptor Ligands:
Potent, TRbeta Subtype-Selective Thyromimetics Bioorg.Med.Chem.Lett., 13, 2003
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6QWZ
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![BU of 6qwz by Molmil](/molmil-images/mine/6qwz) | HEWL lysozyme, crystallized from KCl solution | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | Deposit date: | 2019-03-06 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | HEWL lysozyme, crystallized from different chlorides To Be Published
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5HFO
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![BU of 5hfo by Molmil](/molmil-images/mine/5hfo) | CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL, ... | Authors: | Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B. | Deposit date: | 2016-01-07 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Role of Arginine 214 in the Substrate Specificity of OXA-48. Antimicrob.Agents Chemother., 64, 2020
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6HVF
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![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6KZQ
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![BU of 6kzq by Molmil](/molmil-images/mine/6kzq) | structure of PTP-MEG2 and NSF-pY83 peptide complex | Descriptor: | NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9 | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | Deposit date: | 2019-09-25 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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7TQG
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![BU of 7tqg by Molmil](/molmil-images/mine/7tqg) | Crystal Structure of IOMA Fab inferred germline | Descriptor: | IOMA iGL Fab Heavy Chain, IOMA iGL Fab Light Chain | Authors: | Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2022-01-26 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | CD4 binding site immunogens elicit heterologous anti-HIV-1 neutralizing antibodies in transgenic and wild-type animals. Sci Immunol, 8, 2023
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7OZ1
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![BU of 7oz1 by Molmil](/molmil-images/mine/7oz1) | Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Skarda, L, Kowal, J, Locher, K.P. | Deposit date: | 2021-06-25 | Release date: | 2021-09-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Human Cholesterol Transporter ABCG1. J.Mol.Biol., 433, 2021
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6DMH
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![BU of 6dmh by Molmil](/molmil-images/mine/6dmh) | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6L03
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![BU of 6l03 by Molmil](/molmil-images/mine/6l03) | structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex | Descriptor: | Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | Deposit date: | 2019-09-25 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.084 Å) | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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5DSE
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![BU of 5dse by Molmil](/molmil-images/mine/5dse) | Crystal Structure of the TTC7B/Hyccin Complex | Descriptor: | Hyccin, Tetratricopeptide repeat protein 7B | Authors: | Wu, X, Baskin, J.M, Reinisch, K.M, De Camilli, P. | Deposit date: | 2015-09-17 | Release date: | 2015-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The leukodystrophy protein FAM126A (hyccin) regulates PtdIns(4)P synthesis at the plasma membrane. Nat.Cell Biol., 18, 2016
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8GYG
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5ZQK
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![BU of 5zqk by Molmil](/molmil-images/mine/5zqk) | Dengue Virus Non Structural Protein 5 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | El Sahili, A, Soh, T.S, Schiltz, J, Gharbi-Ayachi, A, Goh, B.C, Seh, C.C, Dedon, P.C, Shi, P.Y, Lim, S.P, Lescar, J. | Deposit date: | 2018-04-19 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues. J.Virol., 94, 2019
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5E7C
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![BU of 5e7c by Molmil](/molmil-images/mine/5e7c) | Macromolecular diffractive imaging using imperfect crystals - Bragg data | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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5KOT
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![BU of 5kot by Molmil](/molmil-images/mine/5kot) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2017-07-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
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7P4I
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![BU of 7p4i by Molmil](/molmil-images/mine/7p4i) | |
7MFB
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![BU of 7mfb by Molmil](/molmil-images/mine/7mfb) | Crystal structure of antibody 10E8v4 Fab - light chain H31F variant | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
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7JJD
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![BU of 7jjd by Molmil](/molmil-images/mine/7jjd) | |
5DKH
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![BU of 5dkh by Molmil](/molmil-images/mine/5dkh) | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 | Descriptor: | (2E)-3-[(6S,9R)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Probable global transcription activator SNF2L2, ... | Authors: | Tallant, C, Owen, D.R, Taylor, A, Fedorov, O, Savitsky, P, Siejka, P, Srikannathasan, V, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 To Be Published
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6QZH
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![BU of 6qzh by Molmil](/molmil-images/mine/6qzh) | Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA | Descriptor: | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ... | Authors: | Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J. | Deposit date: | 2019-03-11 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell, 178, 2019
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6QX0
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![BU of 6qx0 by Molmil](/molmil-images/mine/6qx0) | HEWL lysozyme, crystallized from LiCl solution | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | Deposit date: | 2019-03-06 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | HEWL lysozyme, crystallized from different chlorides To Be Published
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7MF9
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![BU of 7mf9 by Molmil](/molmil-images/mine/7mf9) | Crystal structure of antibody 10E8v4-P100fA Fab in space group C2 | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
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