2IAJ
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![BU of 2iaj by Molmil](/molmil-images/mine/2iaj) | |
8P5A
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![BU of 8p5a by Molmil](/molmil-images/mine/8p5a) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8I9Z
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![BU of 8i9z by Molmil](/molmil-images/mine/8i9z) | Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - State Spb4 | Descriptor: | 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ... | Authors: | Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J. | Deposit date: | 2023-02-07 | Release date: | 2023-05-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis. Embo Rep., 24, 2023
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8P55
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![BU of 8p55 by Molmil](/molmil-images/mine/8p55) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8I9X
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![BU of 8i9x by Molmil](/molmil-images/mine/8i9x) | Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - Ytm1-1 | Descriptor: | 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ... | Authors: | Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J. | Deposit date: | 2023-02-07 | Release date: | 2023-05-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis. Embo Rep., 24, 2023
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3BKB
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![BU of 3bkb by Molmil](/molmil-images/mine/3bkb) | Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES) | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... | Authors: | Filippakopoulos, P, Salah, E, Fedorov, O, Cooper, C, Ugochukwu, E, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-06 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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5NKP
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![BU of 5nkp by Molmil](/molmil-images/mine/5nkp) | Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide | Descriptor: | CHLORIDE ION, CITRIC ACID, Kelch-like protein 3, ... | Authors: | Chen, Z, Sorrell, F.J, Pinkas, D.M, Williams, E, Mathea, S, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Burgess-Brown, N, Bountra, C, Bullock, A. | Deposit date: | 2017-03-31 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide To Be Published
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8P57
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![BU of 8p57 by Molmil](/molmil-images/mine/8p57) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8IA0
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![BU of 8ia0 by Molmil](/molmil-images/mine/8ia0) | Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - State Puf6 | Descriptor: | 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ... | Authors: | Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J. | Deposit date: | 2023-02-07 | Release date: | 2023-05-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis. Embo Rep., 24, 2023
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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1G6S
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![BU of 1g6s by Molmil](/molmil-images/mine/1g6s) | STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE | Descriptor: | EPSP SYNTHASE, FORMIC ACID, GLYPHOSATE, ... | Authors: | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | Deposit date: | 2000-11-07 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail. Proc.Natl.Acad.Sci.USA, 98, 2001
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P56
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![BU of 8p56 by Molmil](/molmil-images/mine/8p56) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8I9R
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![BU of 8i9r by Molmil](/molmil-images/mine/8i9r) | Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - State 5S RNP | Descriptor: | 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, 60S ribosomal protein L16-like protein, ... | Authors: | Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J. | Deposit date: | 2023-02-07 | Release date: | 2023-05-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis. Embo Rep., 24, 2023
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8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8OU2
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![BU of 8ou2 by Molmil](/molmil-images/mine/8ou2) | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor To Be Published
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6FOC
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![BU of 6foc by Molmil](/molmil-images/mine/6foc) | F1-ATPase from Mycobacterium smegmatis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | Authors: | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | Deposit date: | 2018-02-06 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs. Proc.Natl.Acad.Sci.USA, 116, 2019
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1GAM
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![BU of 1gam by Molmil](/molmil-images/mine/1gam) | GAMMA B CRYSTALLIN TRUNCATED C-TERMINAL DOMAIN | Descriptor: | GAMMA B CRYSTALLIN | Authors: | Norledge, B.V, Mayr, E.-M, Glockshuber, R, Bateman, O.A, Slingsby, C, Jaenicke, R, Driessen, H.P.C. | Deposit date: | 1996-02-02 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The X-ray structures of two mutant crystallin domains shed light on the evolution of multi-domain proteins. Nat.Struct.Biol., 3, 1996
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8P54
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![BU of 8p54 by Molmil](/molmil-images/mine/8p54) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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1KBU
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![BU of 1kbu by Molmil](/molmil-images/mine/1kbu) | CRE RECOMBINASE BOUND TO A LOXP HOLLIDAY JUNCTION | Descriptor: | CRE RECOMBINASE, LOXP | Authors: | Martin, S.S, Pulido, E, Chu, V.C, Lechner, T, Baldwin, E.P. | Deposit date: | 2001-11-06 | Release date: | 2002-06-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Order of Strand Exchanges in Cre-LoxP Recombination and its Basis Suggested by the Crystal Structure of a
Cre-LoxP Holliday Junction Complex J.Mol.Biol., 319, 2002
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8I9V
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![BU of 8i9v by Molmil](/molmil-images/mine/8i9v) | Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - State Dbp10-2 | Descriptor: | 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ... | Authors: | Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J. | Deposit date: | 2023-02-07 | Release date: | 2023-05-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis. Embo Rep., 24, 2023
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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8P58
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![BU of 8p58 by Molmil](/molmil-images/mine/8p58) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P86
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![BU of 8p86 by Molmil](/molmil-images/mine/8p86) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5NPQ
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![BU of 5npq by Molmil](/molmil-images/mine/5npq) | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | Authors: | Shen, M, Perez-Dorado, I, Fedoryshchak, R, Tate, E.W. | Deposit date: | 2017-04-18 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound. To be published
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