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2AXQ
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BU of 2axq by Molmil
Apo histidine-tagged saccharopine dehydrogenase (L-Glu forming) from Saccharomyces cerevisiae
Descriptor: SULFATE ION, Saccharopine dehydrogenase
Authors:Andi, B, Cook, P.F, West, A.H.
Deposit date:2005-09-05
Release date:2006-08-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the his-tagged saccharopine reductase from Saccharomyces cerevisiae at 1.7-A resolution.
Cell Biochem.Biophys., 46, 2006
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
Descriptor: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
Authors:Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
2QRK
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BU of 2qrk by Molmil
Crystal Structure of AMP-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae
Descriptor: ADENOSINE MONOPHOSPHATE, Saccharopine dehydrogenase [NAD+, L-lysine-forming
Authors:Andi, B, Xu, H, Cook, P.F, West, A.H.
Deposit date:2007-07-28
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Biochemistry, 46, 2007
2QRJ
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BU of 2qrj by Molmil
Crystal Structure of Sulfate-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae
Descriptor: CHLORIDE ION, SULFATE ION, Saccharopine dehydrogenase, ...
Authors:Andi, B, Xu, H, Cook, P.F, West, A.H.
Deposit date:2007-07-28
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Biochemistry, 46, 2007
2QRL
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BU of 2qrl by Molmil
Crystal Structure of Oxalylglycine-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae
Descriptor: N-OXALYLGLYCINE, Saccharopine dehydrogenase, NAD+, ...
Authors:Andi, B, Xu, H, Cook, P.F, West, A.H.
Deposit date:2007-07-28
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Biochemistry, 46, 2007
7JYC
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BU of 7jyc by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
Descriptor: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-08-30
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K3T
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BU of 7k3t by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-09-13
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7MNG
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
Descriptor: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7MRR
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BU of 7mrr by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-05-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6D
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BU of 7k6d by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-09-19
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6E
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BU of 7k6e by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-09-19
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K40
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BU of 7k40 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form)
Authors:Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-09-14
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2015-12-08
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-10-03
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-21
Release date:2016-02-10
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
6O8A
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BU of 6o8a by Molmil
Thaumatin native-SAD structure determined at 5 keV from microcrystals
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q.
Deposit date:2019-03-09
Release date:2019-05-08
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synchrotron microcrystal native-SAD phasing at a low energy.
Iucrj, 6, 2019
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
3UH1
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BU of 3uh1 by Molmil
Crystal Structure of Saccharopine Dehydrogenase from Saccharomyces cerevisiae with bound saccharopine and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID, ...
Authors:Kumar, V.P, Thomas, L.M, Bobyk, K.D, Andi, B, West, A.H, Cook, P.F.
Deposit date:2011-11-03
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
7MHF
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BU of 7mhf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHG
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BU of 7mhg by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHL
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BU of 7mhl by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
4U8U
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BU of 4u8u by Molmil
The Crystallographic structure of the giant hemoglobin from Glossoscolex paulistus at 3.2 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ...
Authors:Bachega, J.F.R, Maluf, F.V, Andi, B, D'Muniz Pereira, H, Carazzollea, M.F, Orville, A, Tabak, M, Garratt, R.C, Horjales, E.
Deposit date:2014-08-04
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of the giant haemoglobin from Glossoscolex paulistus.
Acta Crystallogr.,Sect.D, 71, 2015
8ENA
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BU of 8ena by Molmil
Thaumatin native-SAD structure determined at 5 keV with a helium environmet
Descriptor: Thaumatin-1
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2022-11-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment
Iucrj, 9, 2022

 

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