5LF0
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![BU of 5lf0 by Molmil](/molmil-images/mine/5lf0) | Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom | Descriptor: | CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LE5
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![BU of 5le5 by Molmil](/molmil-images/mine/5le5) | Native human 20S proteasome at 1.8 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-29 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF6
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![BU of 5lf6 by Molmil](/molmil-images/mine/5lf6) | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LEY
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![BU of 5ley by Molmil](/molmil-images/mine/5ley) | Human 20S proteasome complex with Oprozomib at 1.9 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF7
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![BU of 5lf7 by Molmil](/molmil-images/mine/5lf7) | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF3
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![BU of 5lf3 by Molmil](/molmil-images/mine/5lf3) | Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LEX
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![BU of 5lex by Molmil](/molmil-images/mine/5lex) | Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom | Descriptor: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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2IYX
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![BU of 2iyx by Molmil](/molmil-images/mine/2iyx) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate and SO4 | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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4DP1
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![BU of 4dp1 by Molmil](/molmil-images/mine/4dp1) | The 1.35 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 4.0 | Descriptor: | ACETATE ION, COPPER (I) ION, GLYCEROL, ... | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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4DP7
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![BU of 4dp7 by Molmil](/molmil-images/mine/4dp7) | The 1.08 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 4.0 | Descriptor: | COPPER (II) ION, Plastocyanin A, chloroplastic, ... | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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4DP4
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![BU of 4dp4 by Molmil](/molmil-images/mine/4dp4) | The 1.54 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 6.0 | Descriptor: | COPPER (I) ION, GLYCEROL, Plastocyanin B, ... | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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1KFX
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![BU of 1kfx by Molmil](/molmil-images/mine/1kfx) | Crystal Structure of Human m-Calpain Form I | Descriptor: | M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT | Authors: | Strobl, S, Fernandez-Catalan, C, Braun, M, Huber, R, Masumoto, H, Nakagawa, K, Irie, A, Sorimachi, H, Bourenkow, G, Bartunik, H, Suzuki, K, Bode, W. | Deposit date: | 2001-11-23 | Release date: | 2001-12-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium. Proc.Natl.Acad.Sci.USA, 97, 2000
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5LH7
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![BU of 5lh7 by Molmil](/molmil-images/mine/5lh7) | High dose Thaumatin - 760-800 ms. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | Deposit date: | 2016-07-08 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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5LH3
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![BU of 5lh3 by Molmil](/molmil-images/mine/5lh3) | High dose Thaumatin - 0-40 ms. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | Deposit date: | 2016-07-08 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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5LH6
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![BU of 5lh6 by Molmil](/molmil-images/mine/5lh6) | High dose Thaumatin - 360-400 ms. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | Deposit date: | 2016-07-08 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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2IYT
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![BU of 2iyt by Molmil](/molmil-images/mine/2iyt) | Shikimate kinase from Mycobacterium tuberculosis in unliganded state, open LID (conf. A) | Descriptor: | CHLORIDE ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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5LH1
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![BU of 5lh1 by Molmil](/molmil-images/mine/5lh1) | Low dose Thaumatin - 360-400 ms. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | Deposit date: | 2016-07-08 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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4UWM
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![BU of 4uwm by Molmil](/molmil-images/mine/4uwm) | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | Descriptor: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | Deposit date: | 2014-08-12 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase. Acta Crystallogr.,Sect.D, 71, 2015
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7QUO
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![BU of 7quo by Molmil](/molmil-images/mine/7quo) | FimH lectin domain in complex with oligomannose-6 | Descriptor: | FimH, NICKEL (II) ION, SULFATE ION, ... | Authors: | Bouckaert, J, Bourenkov, G.P. | Deposit date: | 2022-01-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors J.Biol.Chem., 299, 2023
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4UX9
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![BU of 4ux9 by Molmil](/molmil-images/mine/4ux9) | Crystal structure of JNK1 bound to a MKK7 docking motif | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | Deposit date: | 2014-08-20 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Dynamics of the Mkk7-Jnk Signaling Complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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7ZAI
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![BU of 7zai by Molmil](/molmil-images/mine/7zai) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA and aIF1A. | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-07-13 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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7ZAG
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![BU of 7zag by Molmil](/molmil-images/mine/7zag) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA,mRNA, aIF1A and the C-terminal domain of aIF5B. | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-08-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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7YXA
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![BU of 7yxa by Molmil](/molmil-images/mine/7yxa) | XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ... | Authors: | Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors. Nat Commun, 13, 2022
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7ZAH
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![BU of 7zah by Molmil](/molmil-images/mine/7zah) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA, aIF1A and aIF5B | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-08-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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