5MDL
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![BU of 5mdl by Molmil](/molmil-images/mine/5mdl) | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | Authors: | Kalms, J, Schmidt, A, Scheerer, P. | Deposit date: | 2016-11-11 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G20
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![BU of 6g20 by Molmil](/molmil-images/mine/6g20) | Crystal structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its functional Meta-F intermediate state. | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, ... | Authors: | Schmidt, A, Sauthof, L, Szczepek, M, Scheerer, P. | Deposit date: | 2018-03-22 | Release date: | 2018-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
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6G1Y
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![BU of 6g1y by Molmil](/molmil-images/mine/6g1y) | Crystal structure of the photosensory core module (PCM) of a bathy phytochrome from Agrobacterium fabrum in the Pfr state. | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | Authors: | Schmidt, A, Qureshi, B.M, Scheerer, P. | Deposit date: | 2018-03-22 | Release date: | 2018-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
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6G1Z
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![BU of 6g1z by Molmil](/molmil-images/mine/6g1z) | Crystal structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its Pfr state. | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, ... | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Scheerer, P. | Deposit date: | 2018-03-22 | Release date: | 2018-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
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7N36
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![BU of 7n36 by Molmil](/molmil-images/mine/7n36) | |
7N37
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![BU of 7n37 by Molmil](/molmil-images/mine/7n37) | Crystal structure of 3-site deamidated variant of human gamma(S)-crystallin | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | Authors: | Norton-Baker, B, Mehrabi, P, Martin, R.W. | Deposit date: | 2021-05-31 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging. Structure, 30, 2022
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7N38
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![BU of 7n38 by Molmil](/molmil-images/mine/7n38) | Crystal structure of 5-site deamidated variant of human gamma(S)-crystallin | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | Authors: | Norton-Baker, B, Mehrabi, P, Martin, R.W. | Deposit date: | 2021-05-31 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging. Structure, 30, 2022
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7N39
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![BU of 7n39 by Molmil](/molmil-images/mine/7n39) | |
7N3A
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![BU of 7n3a by Molmil](/molmil-images/mine/7n3a) | |
7N3B
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![BU of 7n3b by Molmil](/molmil-images/mine/7n3b) | |
8Q3L
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![BU of 8q3l by Molmil](/molmil-images/mine/8q3l) | |
4CW2
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![BU of 4cw2 by Molmil](/molmil-images/mine/4cw2) | Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 2.5 kGy) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, URICASE | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2014-04-01 | Release date: | 2014-10-29 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
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4CW3
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![BU of 4cw3 by Molmil](/molmil-images/mine/4cw3) | Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 665 kGy) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, 9-METHYL URIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2014-04-01 | Release date: | 2014-10-29 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
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4CW6
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![BU of 4cw6 by Molmil](/molmil-images/mine/4cw6) | Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 92 kGy) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, 9-METHYL URIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2014-04-01 | Release date: | 2014-10-29 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
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4CW0
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![BU of 4cw0 by Molmil](/molmil-images/mine/4cw0) | |
4D13
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4D17
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![BU of 4d17 by Molmil](/molmil-images/mine/4d17) | Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 106 kGy) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, OXYGEN MOLECULE, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2014-05-01 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
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4D19
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![BU of 4d19 by Molmil](/molmil-images/mine/4d19) | Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 1.75 MGy) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, OXYGEN MOLECULE, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2014-05-01 | Release date: | 2014-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
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4D12
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6RNC
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![BU of 6rnc by Molmil](/molmil-images/mine/6rnc) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNB
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![BU of 6rnb by Molmil](/molmil-images/mine/6rnb) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNF
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![BU of 6rnf by Molmil](/molmil-images/mine/6rnf) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms timepoint | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RND
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![BU of 6rnd by Molmil](/molmil-images/mine/6rnd) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 15 ms timepoint | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, 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: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | 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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7AQE
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![BU of 7aqe by Molmil](/molmil-images/mine/7aqe) | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Meents, A. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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