7BTE
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![BU of 7bte by Molmil](/molmil-images/mine/7bte) | Lifeact-F-actin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kumari, A, Ragunath, V.K, Sirajuddin, M. | Deposit date: | 2020-04-01 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into actin filament recognition by commonly used cellular actin markers. Embo J., 39, 2020
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6XVP
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![BU of 6xvp by Molmil](/molmil-images/mine/6xvp) | Crystal structure of Neprilysin in complex with Sampatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2020-01-22 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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7BU7
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![BU of 7bu7 by Molmil](/molmil-images/mine/7bu7) | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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3IC0
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![BU of 3ic0 by Molmil](/molmil-images/mine/3ic0) | Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 | Descriptor: | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
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4M83
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![BU of 4m83 by Molmil](/molmil-images/mine/4m83) | Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ... | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-08-12 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Crystal structure of macrolide glycosyltransferases OleD To be Published
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7BV8
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![BU of 7bv8 by Molmil](/molmil-images/mine/7bv8) | Mature 50S ribosomal subunit from RrmJ knock out E.coli strain | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Wang, W, Li, W.Q, Ge, X.L, Yan, K.G, Mandava, C.S, Sanyal, S, Gao, N. | Deposit date: | 2020-04-09 | Release date: | 2020-07-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Loss of a single methylation in 23S rRNA delays 50S assembly at multiple late stages and impairs translation initiation and elongation. Proc.Natl.Acad.Sci.USA, 117, 2020
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4MD4
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![BU of 4md4 by Molmil](/molmil-images/mine/4md4) | Immune Receptor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scally, S.W, Rossjohn, J. | Deposit date: | 2013-08-22 | Release date: | 2013-12-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis. J.Exp.Med., 210, 2013
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7JT2
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![BU of 7jt2 by Molmil](/molmil-images/mine/7jt2) | |
6XJV
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![BU of 6xjv by Molmil](/molmil-images/mine/6xjv) | MCU holocomplex in High-calcium state | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | Authors: | Wang, Y, Jiang, Y. | Deposit date: | 2020-06-24 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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6XKX
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![BU of 6xkx by Molmil](/molmil-images/mine/6xkx) | R. capsulatus CIII2CIV tripartite super-complex, conformation A (SC-1A) | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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3IA2
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![BU of 3ia2 by Molmil](/molmil-images/mine/3ia2) | Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog | Descriptor: | (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ... | Authors: | Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K. | Deposit date: | 2009-07-13 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Different active-site loop orientation in serine hydrolases versus acyltransferases. Chembiochem, 12, 2011
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6N7G
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![BU of 6n7g by Molmil](/molmil-images/mine/6n7g) | Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form I) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-11-27 | Release date: | 2019-05-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm. Nat Commun, 10, 2019
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7BUA
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![BU of 7bua by Molmil](/molmil-images/mine/7bua) | Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ... | Authors: | Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M. | Deposit date: | 2020-04-06 | Release date: | 2020-05-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms. Cell Rep, 31, 2020
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4KXC
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![BU of 4kxc by Molmil](/molmil-images/mine/4kxc) | Crystal structure of human aminopeptidase A complexed with glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Y, Liu, C, Lin, Y.Y, Li, F. | Deposit date: | 2013-05-25 | Release date: | 2013-07-31 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into central hypertension regulation by human aminopeptidase a. J.Biol.Chem., 288, 2013
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7JPW
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![BU of 7jpw by Molmil](/molmil-images/mine/7jpw) | Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-10 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7BYT
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![BU of 7byt by Molmil](/molmil-images/mine/7byt) | Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A with galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S. | Deposit date: | 2020-04-24 | Release date: | 2020-11-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium . J.Biol.Chem., 295, 2020
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6MV7
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![BU of 6mv7 by Molmil](/molmil-images/mine/6mv7) | Crystal structure of RNAse 6 | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease K6 | Authors: | Couture, J.-F, Doucet, N. | Deposit date: | 2018-10-24 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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3IHP
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![BU of 3ihp by Molmil](/molmil-images/mine/3ihp) | Covalent Ubiquitin-Usp5 Complex | Descriptor: | CHLORIDE ION, ETHANAMINE, Ubiquitin, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-30 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Covalent Ubiquitin-Usp5 Complex To be Published
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4L1L
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![BU of 4l1l by Molmil](/molmil-images/mine/4l1l) | Rat PKC C2 domain bound to CD | Descriptor: | CADMIUM ION, Protein kinase C alpha type, SULFATE ION | Authors: | Morales, K.M, Yang, Y, Long, Z, Li, P, Taylor, A.B, Hart, P.J, Igumenova, T.I. | Deposit date: | 2013-06-03 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cd(2+) as a ca(2+) surrogate in protein-membrane interactions: isostructural but not isofunctional. J.Am.Chem.Soc., 135, 2013
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7JPL
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![BU of 7jpl by Molmil](/molmil-images/mine/7jpl) | Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-09 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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6YL8
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![BU of 6yl8 by Molmil](/molmil-images/mine/6yl8) | Crystal structure of YTHDC1 with compound DHU_DC1_011 | Descriptor: | (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7JY3
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![BU of 7jy3 by Molmil](/molmil-images/mine/7jy3) | Structure of HbA with compound 23 (PF-07059013) | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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6N7K
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![BU of 6n7k by Molmil](/molmil-images/mine/6n7k) | Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-11-27 | Release date: | 2019-05-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm. Nat Commun, 10, 2019
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3IJZ
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![BU of 3ijz by Molmil](/molmil-images/mine/3ijz) | Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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6YLV
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![BU of 6ylv by Molmil](/molmil-images/mine/6ylv) | Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog | Descriptor: | 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66005659 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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