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1DKI
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BU of 1dki by Molmil
CRYSTAL STRUCTURE OF THE ZYMOGEN FORM OF STREPTOCOCCAL PYROGENIC EXOTOXIN B ACTIVE SITE (C47S) MUTANT
Descriptor: PYROGENIC EXOTOXIN B ZYMOGEN, SULFATE ION
Authors:Kagawa, T.F, Cooney, J.C, Baker, H.M, McSweeney, S, Liu, M, Gubba, S, Musser, J.M, Baker, E.N.
Deposit date:1999-12-07
Release date:2000-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the zymogen form of the group A Streptococcus virulence factor SpeB: an integrin-binding cysteine protease.
Proc.Natl.Acad.Sci.USA, 97, 2000
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
4UOB
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BU of 4uob by Molmil
Crystal structure of Deinococcus radiodurans Endonuclease III-3
Descriptor: ACETATE ION, COBALT (II) ION, ENDONUCLEASE III-3, ...
Authors:Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E.
Deposit date:2014-06-02
Release date:2015-06-10
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans.
J.Struct.Biol., 191, 2015
4UNF
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BU of 4unf by Molmil
Crystal structure of Deinococcus radiodurans Endonuclease III-1
Descriptor: ACETATE ION, ENDONUCLEASE III-1, IRON/SULFUR CLUSTER, ...
Authors:Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E.
Deposit date:2014-05-28
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans.
J.Struct.Biol., 191, 2015
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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
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
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
7SEV
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BU of 7sev by Molmil
Crystal structure of E coli contaminant protein YadF co-purified with a plant protein
Descriptor: Carbonic anhydrase 2, POTASSIUM ION, ZINC ION
Authors:Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q.
Deposit date:2021-10-01
Release date:2021-11-03
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
7SEU
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BU of 7seu by Molmil
Crystal structure of E coli contaminant protein YncE co-purified with a plant protein
Descriptor: PQQ-dependent catabolism-associated beta-propeller protein
Authors:Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q.
Deposit date:2021-10-01
Release date:2022-04-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
7TDO
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BU of 7tdo by Molmil
Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH
Authors:Liu, W, Schoonen, M, Wang, T, McSweeney, S, Liu, Q.
Deposit date:2022-01-02
Release date:2022-04-06
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state.
Commun Biol, 5, 2022
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
8EN9
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BU of 8en9 by Molmil
TehA native-SAD structure determined at 5 keV with a helium environment
Descriptor: CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ...
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 (2.6 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment
Iucrj, 9, 2022
6MSX
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BU of 6msx by Molmil
Iron containing ferritin at 1.43A
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
Authors:Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
Deposit date:2018-10-18
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
6MX9
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BU of 6mx9 by Molmil
Lysozyme bound to 3-Aminophenol
Descriptor: 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ...
Authors:Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
Deposit date:2018-10-30
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
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
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
6TGT
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BU of 6tgt by Molmil
The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
Descriptor: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
Authors:Cuypers, M.G, Romao, C.V, Mitchell, E.P, McSweeney, S.
Deposit date:2019-11-18
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
To Be Published
6TB5
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BU of 6tb5 by Molmil
The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
Descriptor: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
Authors:Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P.
Deposit date:2019-10-31
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
To Be Published
6W8S
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BU of 6w8s by Molmil
Crystal structure of metacaspase 4 from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8T
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BU of 6w8t by Molmil
Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium)
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
4JCV
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BU of 4jcv by Molmil
Crystal structure of the RecOR complex in an open conformation
Descriptor: DNA repair protein RecO, Recombination protein RecR, ZINC ION
Authors:Radzimanowski, J, McSweeney, S, Timmins, J.
Deposit date:2013-02-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:An 'open' structure of the RecOR complex supports ssDNA binding within the core of the complex.
Nucleic Acids Res., 41, 2013
6C5Y
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BU of 6c5y by Molmil
Crystal structure of thaumatin from microcrystals
Descriptor: Thaumatin-1
Authors:Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q.
Deposit date:2018-01-17
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sample manipulation and data assembly for robust microcrystal synchrotron crystallography.
IUCrJ, 5, 2018
4ABY
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BU of 4aby by Molmil
Crystal structure of Deinococcus radiodurans RecN head domain
Descriptor: DNA REPAIR PROTEIN RECN
Authors:Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
Deposit date:2011-12-12
Release date:2012-12-12
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012

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