8WCC
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![BU of 8wcc by Molmil](/molmil-images/mine/8wcc) | Cryo-EM structure of the CHA-bound mTAAR1 complex | Descriptor: | CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1 | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | Deposit date: | 2023-09-11 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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9IK2
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![BU of 9ik2 by Molmil](/molmil-images/mine/9ik2) | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109 | Descriptor: | 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X. | Deposit date: | 2024-06-26 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities To Be Published
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8E2P
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8WTZ
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![BU of 8wtz by Molmil](/molmil-images/mine/8wtz) | potassium outward rectifier channel SKOR | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-19 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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9NSE
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![BU of 9nse by Molmil](/molmil-images/mine/9nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | Authors: | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2000-10-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas. J.Inorg.Biochem., 81, 2000
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8E2Q
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![BU of 8e2q by Molmil](/molmil-images/mine/8e2q) | Crystal structure of TadAC-1.17 in a complex with ssDNA | Descriptor: | DNA (5'-D(P*GP*CP*GP*GP*CP*TP*(D8A)P*CP*GP*GP*A)-3'), GLYCEROL, ZINC ION, ... | Authors: | Feliciano, P.R, Lee, S.J, Ciaramella, G. | Deposit date: | 2022-08-15 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Improved cytosine base editors generated from TadA variants. Nat.Biotechnol., 41, 2023
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8YUU
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![BU of 8yuu by Molmil](/molmil-images/mine/8yuu) | Cryo-EM structure of the histamine-bound H3R-Gi complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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2PL7
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2PQW
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![BU of 2pqw by Molmil](/molmil-images/mine/2pqw) | Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), trigonal form | Descriptor: | ACETATE ION, Histone H4, Lethal(3)malignant brain tumor-like protein | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-02 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | L3MBTL1 recognition of mono- and dimethylated histones. Nat.Struct.Mol.Biol., 14, 2007
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9ERX
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![BU of 9erx by Molmil](/molmil-images/mine/9erx) | Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor | Descriptor: | (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, Antibody ScFv16 Fab fragment, Cannabinoid receptor 1, ... | Authors: | Thorsen, T.S, Kulkarni, Y, Boggild, A, Drace, T, Nissen, P, Gajhede, M, Boesen, T, Kastrup, J.S, Gloriam, D. | Deposit date: | 2024-03-25 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of Delta 9 -THC analog activity at the Cannabinoid 1 receptor. Res Sq, 2024
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9FT1
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![BU of 9ft1 by Molmil](/molmil-images/mine/9ft1) | Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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8T59
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![BU of 8t59 by Molmil](/molmil-images/mine/8t59) | Crystal structure of Para.09 bound to TREM2 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ... | Authors: | Wallweber, H, Hsu, P.L. | Deposit date: | 2023-06-12 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining To Be Published
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6MF2
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![BU of 6mf2 by Molmil](/molmil-images/mine/6mf2) | Improved Model of Human Coagulation Factor VIII | Descriptor: | CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ... | Authors: | Smith, I.W, Spiegel, P.C. | Deposit date: | 2018-09-08 | Release date: | 2019-09-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.609364 Å) | Cite: | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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6L4R
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![BU of 6l4r by Molmil](/molmil-images/mine/6l4r) | Crystal structure of Enterovirus D68 RdRp | Descriptor: | RdRp | Authors: | Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D. | Deposit date: | 2019-10-21 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel. J.Struct.Biol., 211, 2020
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6MF0
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![BU of 6mf0 by Molmil](/molmil-images/mine/6mf0) | Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ... | Authors: | Smith, I.W, Spiegel, P.C. | Deposit date: | 2018-09-07 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.19999886 Å) | Cite: | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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8E4D
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![BU of 8e4d by Molmil](/molmil-images/mine/8e4d) | [U:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-08-18 | Release date: | 2023-04-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (4.19 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
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117E
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![BU of 117e by Molmil](/molmil-images/mine/117e) | THE R78K AND D117E ACTIVE SITE VARIANTS OF SACCHAROMYCES CEREVISIAE SOLUBLE INORGANIC PYROPHOSPHATASE: STRUCTURAL STUDIES AND MECHANISTIC IMPLICATIONS | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, PROTEIN (INORGANIC PYROPHOSPHATASE) | Authors: | Tuominen, V, Heikinheimo, P, Kajander, T, Torkkel, T, Hyytia, T, Kapyla, J, Lahti, R, Cooperman, B.S, Goldman, A. | Deposit date: | 1998-09-15 | Release date: | 1998-12-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications. J.Mol.Biol., 284, 1998
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1GK0
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![BU of 1gk0 by Molmil](/molmil-images/mine/1gk0) | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | Descriptor: | 1,2-ETHANEDIOL, CEPHALOSPORIN ACYLASE, PHOSPHATE ION | Authors: | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | Deposit date: | 2001-08-07 | Release date: | 2002-01-01 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C. Protein Sci., 11, 2002
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1AEX
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![BU of 1aex by Molmil](/molmil-images/mine/1aex) | STAPHYLOCOCCAL NUCLEASE, METHANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-03-01 | Release date: | 1997-06-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1A2U
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![BU of 1a2u by Molmil](/molmil-images/mine/1a2u) | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 1-N-BUTANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-11 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
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1AC0
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![BU of 1ac0 by Molmil](/molmil-images/mine/1ac0) | GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN COMPLEX WITH CYCLODEXTRIN, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE | Authors: | Sorimachi, K, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P. | Deposit date: | 1997-02-10 | Release date: | 1997-07-07 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the granular starch binding domain of Aspergillus niger glucoamylase bound to beta-cyclodextrin. Structure, 5, 1997
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1A71
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![BU of 1a71 by Molmil](/molmil-images/mine/1a71) | TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL | Descriptor: | LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | Authors: | Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M. | Deposit date: | 1998-03-19 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes. Biochemistry, 37, 1998
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8DVX
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![BU of 8dvx by Molmil](/molmil-images/mine/8dvx) | Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A | Descriptor: | Cytochrome c, HEME C, HEXACYANOFERRATE(3-) | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | Deposit date: | 2022-07-30 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
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8DZL
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![BU of 8dzl by Molmil](/molmil-images/mine/8dzl) | Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A | Descriptor: | Cytochrome c, somatic, HEME C | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | Deposit date: | 2022-08-08 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
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