8C5B
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8C5O
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1MVZ
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![BU of 1mvz by Molmil](/molmil-images/mine/1mvz) | NMR solution structure of a Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata) | Descriptor: | Bowman-Birk type protease inhibitor, (MSTI) | Authors: | Catalano, M, Ragona, L, Molinari, H, Tava, A, Zetta, L. | Deposit date: | 2002-09-27 | Release date: | 2003-04-22 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata): solution structure and analysis of self-association behaviour Biochemistry, 42, 2003
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5WB5
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![BU of 5wb5 by Molmil](/molmil-images/mine/5wb5) | Leishmania IF4E-1 bound to Leishmania 4E-IP1 | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative eukaryotic translation initiation factor eIF-4E, Uncharacterized protein | Authors: | Leger-Abraham, M, Meleppattu, S, Arthanari, H, Zinoviev, A, Boeszoermenyi, A, Wagner, G, Shapira, M. | Deposit date: | 2017-06-27 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for LeishIF4E-1 modulation by an interacting protein in the human parasite Leishmania major. Nucleic Acids Res., 46, 2018
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1VLX
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![BU of 1vlx by Molmil](/molmil-images/mine/1vlx) | STRUCTURE OF ELECTRON TRANSFER (COBALT-PROTEIN) | Descriptor: | AZURIN, COBALT (II) ION | Authors: | Bonander, N, Vanngard, T, Tsai, L.-C, Langer, V, Nar, H, Sjolin, L. | Deposit date: | 1996-10-08 | Release date: | 1997-03-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The metal site of Pseudomonas aeruginosa azurin, revealed by a crystal structure determination of the Co(II) derivative and Co-EPR spectroscopy. Proteins, 27, 1997
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4ZXK
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, 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: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6YVF
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![BU of 6yvf by Molmil](/molmil-images/mine/6yvf) | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, 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: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7ABU
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![BU of 7abu by Molmil](/molmil-images/mine/7abu) | Structure of SARS-CoV-2 Main Protease bound to RS102895 | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, 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: | 2020-09-08 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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2ROQ
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![BU of 2roq by Molmil](/molmil-images/mine/2roq) | Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F | Descriptor: | Enterobactin synthetase component F | Authors: | Frueh, D.P, Arthanari, H, Koglin, A, Vosburg, D.A, Bennett, A.E, Walsh, C.T, Wagner, G. | Deposit date: | 2008-04-05 | Release date: | 2008-08-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Dynamic thiolation-thioesterase structure of a non-ribosomal peptide synthetase Nature, 454, 2008
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7DAA
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![BU of 7daa by Molmil](/molmil-images/mine/7daa) | Crystal structure of basigin complexed with anti-basigin Fab fragment | Descriptor: | CADMIUM ION, Heavy chain of antibody Fab fragment, Isoform 2 of Basigin, ... | Authors: | Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S. | Deposit date: | 2020-10-16 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes. Nat.Struct.Mol.Biol., 28, 2021
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7DCE
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![BU of 7dce by Molmil](/molmil-images/mine/7dce) | Cryo-EM structure of human XKR8-basigin complex bound to Fab fragment | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Heavy chain of Fab fragment, Isoform 2 of Basigin, ... | Authors: | Sakuragi, T, Kanai, R, Tsutsumi, A, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Kikkawa, M, Toyoshima, C, Nagata, S. | Deposit date: | 2020-10-26 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes. Nat.Struct.Mol.Biol., 28, 2021
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7D9Z
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![BU of 7d9z by Molmil](/molmil-images/mine/7d9z) | Crystal structure of anti-basigin Fab fragment | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Heavy chain of antibody Fab fragment, ... | Authors: | Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S. | Deposit date: | 2020-10-14 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.123 Å) | Cite: | The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes. Nat.Struct.Mol.Biol., 28, 2021
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3VGA
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![BU of 3vga by Molmil](/molmil-images/mine/3vga) | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, antibody fab fragment heavy chain, ... | Authors: | Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T. | Deposit date: | 2011-08-04 | Release date: | 2012-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody Nature, 482, 2012
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1ILU
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![BU of 1ilu by Molmil](/molmil-images/mine/1ilu) | X-RAY CRYSTAL STRUCTURE THE TWO SITE-SPECIFIC MUTANTS ILE7SER AND PHE110SER OF AZURIN FROM PSEUDOMONAS AERUGINOSA | Descriptor: | AZURIN, COPPER (II) ION | Authors: | Hammann, C, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1995-10-12 | Release date: | 1996-03-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of the two site-specific mutants Ile7Ser and Phe110Ser of azurin from Pseudomonas aeruginosa. J.Mol.Biol., 255, 1996
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1ILS
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![BU of 1ils by Molmil](/molmil-images/mine/1ils) | X-RAY CRYSTAL STRUCTURE THE TWO SITE-SPECIFIC MUTANTS ILE7SER AND PHE110SER OF AZURIN FROM PSEUDOMONAS AERUGINOSA | Descriptor: | AZURIN, COPPER (II) ION, NITRATE ION | Authors: | Hammann, C, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1995-10-12 | Release date: | 1996-03-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystal structure of the two site-specific mutants Ile7Ser and Phe110Ser of azurin from Pseudomonas aeruginosa. J.Mol.Biol., 255, 1996
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1JQH
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![BU of 1jqh by Molmil](/molmil-images/mine/1jqh) | IGF-1 receptor kinase domain | Descriptor: | IGF-1 receptor kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Pautsch, A, Zoephel, A, Ahorn, H, Spevak, W, Hauptmann, R, Nar, H. | Deposit date: | 2001-08-07 | Release date: | 2002-04-19 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of bisphosphorylated IGF-1 receptor kinase: insight into domain movements upon kinase activation. Structure, 9, 2001
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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1UPV
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![BU of 1upv by Molmil](/molmil-images/mine/1upv) | Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | Authors: | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | Deposit date: | 2003-10-13 | Release date: | 2004-10-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
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1UPW
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![BU of 1upw by Molmil](/molmil-images/mine/1upw) | Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | Authors: | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | Deposit date: | 2003-10-13 | Release date: | 2004-10-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
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1URI
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![BU of 1uri by Molmil](/molmil-images/mine/1uri) | AZURIN MUTANT WITH MET 121 REPLACED BY GLN | Descriptor: | AZURIN, COPPER (II) ION, SULFATE ION | Authors: | Romero, A, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1996-11-14 | Release date: | 1997-04-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | X-ray analysis and spectroscopic characterization of M121Q azurin. A copper site model for stellacyanin. J.Mol.Biol., 229, 1993
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1ID2
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![BU of 1id2 by Molmil](/molmil-images/mine/1id2) | CRYSTAL STRUCTURE OF AMICYANIN FROM PARACOCCUS VERSUTUS (THIOBACILLUS VERSUTUS) | Descriptor: | AMICYANIN, COPPER (II) ION | Authors: | Romero, A, Nar, H, Messerschmidt, A. | Deposit date: | 2001-04-03 | Release date: | 2001-04-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure analysis and refinement at 2.15 A resolution of amicyanin, a type I blue copper protein, from Thiobacillus versutus. J.Mol.Biol., 236, 1994
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7AWS
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![BU of 7aws by Molmil](/molmil-images/mine/7aws) | Structure of SARS-CoV-2 Main Protease bound to TH-302. | Descriptor: | 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, 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: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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