1BE9
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![BU of 1be9 by Molmil](/molmil-images/mine/1be9) | THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT. | Descriptor: | CRIPT, PSD-95 | Authors: | Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R. | Deposit date: | 1998-05-20 | Release date: | 1998-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ. Cell(Cambridge,Mass.), 85, 1996
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5IHR
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![BU of 5ihr by Molmil](/molmil-images/mine/5ihr) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-02-29 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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8S03
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![BU of 8s03 by Molmil](/molmil-images/mine/8s03) | NMR solution structure of the CysD2 domain of MUC2 | Descriptor: | CALCIUM ION, Mucin-2 | Authors: | Recktenwald, C, Karlsson, B.G, Garcia-Bonnete, M.-J, Katona, G, Jensen, M, Lymer, R, Baeckstroem, M, Johansson, M.E.V, Hansson, G.C, Trillo-Muyo, S. | Deposit date: | 2024-02-13 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking. Cell Rep, 43, 2024
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5IP3
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![BU of 5ip3 by Molmil](/molmil-images/mine/5ip3) | Tomato spotted wilt tospovirus nucleocapsid protein-ssDNA complex | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Komoda, K, Narita, M, Yamashita, K, Tanaka, I, Yao, M. | Deposit date: | 2016-03-09 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Asymmetric Trimeric Ring Structure of the Nucleocapsid Protein of Tospovirus. J. Virol., 91, 2017
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6H0X
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![BU of 6h0x by Molmil](/molmil-images/mine/6h0x) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040 To be published
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4X27
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![BU of 4x27 by Molmil](/molmil-images/mine/4x27) | |
1SAZ
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![BU of 1saz by Molmil](/molmil-images/mine/1saz) | Membership in the ASKHA Superfamily: Enzymological Properties and Crystal Structure of Butyrate Kinase 2 from Thermotoga maritima | Descriptor: | FORMIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Probable butyrate kinase 2, ... | Authors: | Diao, J, Cooper, D.R, Sanders, D.A, Hasson, M.S. | Deposit date: | 2004-02-09 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of butyrate kinase 2 from Thermotoga maritima, a member of the ASKHA superfamily of phosphotransferases. J.Bacteriol., 191, 2009
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5ICF
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![BU of 5icf by Molmil](/molmil-images/mine/5icf) | Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and sanguinarine | Descriptor: | (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, ... | Authors: | Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M. | Deposit date: | 2016-02-23 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids. Plant J., 87, 2016
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6GKZ
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5I2R
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![BU of 5i2r by Molmil](/molmil-images/mine/5i2r) | human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Koerner, M, Rudolph, M.G. | Deposit date: | 2016-02-09 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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8I4S
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![BU of 8i4s by Molmil](/molmil-images/mine/8i4s) | the complex structure of SARS-CoV-2 Mpro with D8 | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | Authors: | Lu, M. | Deposit date: | 2023-01-21 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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8POI
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5YGY
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![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
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8Q3F
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![BU of 8q3f by Molmil](/molmil-images/mine/8q3f) | |
5ICE
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![BU of 5ice by Molmil](/molmil-images/mine/5ice) | Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and norlaudanosoline | Descriptor: | (1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol, (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, ... | Authors: | Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M. | Deposit date: | 2016-02-23 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids. Plant J., 87, 2016
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6JFV
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![BU of 6jfv by Molmil](/molmil-images/mine/6jfv) | The crystal structure of 2B-2B complex from keratins 5 and 14 (C367A mutant of K14) | Descriptor: | Keratin, type I cytoskeletal 14, type II cytoskeletal 5 | Authors: | Kim, M.S, Lee, C.H, Coulombe, P.A, Leahy, D.J. | Deposit date: | 2019-02-12 | Release date: | 2020-01-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Function Analyses of a Keratin Heterotypic Complex Identify Specific Keratin Regions Involved in Intermediate Filament Assembly. Structure, 28, 2020
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5W4K
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![BU of 5w4k by Molmil](/molmil-images/mine/5w4k) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S. | Deposit date: | 2017-06-12 | Release date: | 2017-08-30 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel. Nat. Chem. Biol., 13, 2017
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8PX5
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![BU of 8px5 by Molmil](/molmil-images/mine/8px5) | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | Descriptor: | Rpb7-binding protein seb1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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1B5Z
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![BU of 1b5z by Molmil](/molmil-images/mine/1b5z) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS | Descriptor: | LYSOZYME | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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8PXL
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![BU of 8pxl by Molmil](/molmil-images/mine/8pxl) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PWN
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![BU of 8pwn by Molmil](/molmil-images/mine/8pwn) | Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | Descriptor: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | Deposit date: | 2023-07-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXK
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![BU of 8pxk by Molmil](/molmil-images/mine/8pxk) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX0
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![BU of 8px0 by Molmil](/molmil-images/mine/8px0) | Structure of ribonuclease A, solved at wavelength 2.75 A | Descriptor: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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6H2P
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![BU of 6h2p by Molmil](/molmil-images/mine/6h2p) | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand | Descriptor: | CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wilk, P, Piwowarczyk, R, Weiss, M.S. | Deposit date: | 2018-07-14 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structural basis for prolidase deficiency disease mechanisms. FEBS J., 285, 2018
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8IHL
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![BU of 8ihl by Molmil](/molmil-images/mine/8ihl) | Overlapping tri-nucleosome | Descriptor: | DNA (353-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Nishimura, M, Fujii, T, Tanaka, H, Maehara, K, Nozawa, K, Takizawa, Y, Ohkawa, Y, Kurumizaka, H. | Deposit date: | 2023-02-23 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (7.64 Å) | Cite: | Genome-wide mapping and cryo-EM structural analyses of the overlapping tri-nucleosome composed of hexasome-hexasome-octasome moieties. Commun Biol, 7, 2024
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