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6THE
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BU of 6the by Molmil
Crystal structure of core domain of four-domain heme-cupredoxin-Cu nitrite reductase from Bradyrhizobium sp. ORS 375
Descriptor: CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-11-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Reverse protein engineering of a novel 4-domain copper nitrite reductase reveals functional regulation by protein-protein interaction.
Febs J., 288, 2021
6THF
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BU of 6thf by Molmil
Crystal structure of two-domain Cu nitrite reductase from Bradyrhizobium sp. ORS 375
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-11-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Reverse protein engineering of a novel 4-domain copper nitrite reductase reveals functional regulation by protein-protein interaction.
Febs J., 288, 2021
6S0W
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BU of 6s0w by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ...
Authors:Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0U
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BU of 6s0u by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S1U
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BU of 6s1u by Molmil
Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6S1W
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BU of 6s1w by Molmil
Crystal structure of dimeric M-PMV protease D26N mutant
Descriptor: Gag-Pro-Pol polyprotein
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
5ZQV
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BU of 5zqv by Molmil
Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GM
Descriptor: CITRATE ANION, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3A, ...
Authors:Yu, J, Xiang, S.
Deposit date:2018-04-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for protein phosphatase 1 recruitment by glycogen-targeting subunits.
FEBS J., 285, 2018
6A9V
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BU of 6a9v by Molmil
Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 42 residues deletion)
Descriptor: GLYCINE, Intermediate cleaving peptidase 55, MANGANESE (II) ION, ...
Authors:Singh, R, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
6A9U
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BU of 6a9u by Molmil
Crystal strcture of Icp55 from Saccharomyces cerevisiae bound to apstatin inhibitor
Descriptor: Intermediate cleaving peptidase 55, MANGANESE (II) ION, apstatin
Authors:Singh, R, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
6A9T
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BU of 6a9t by Molmil
Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 58 residues deletion)
Descriptor: GLYCINE, Intermediate cleaving peptidase 55, MANGANESE (II) ION, ...
Authors:Singh, R, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
6FJ2
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BU of 6fj2 by Molmil
Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ9
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BU of 6fj9 by Molmil
Structure of Thaumatin collected from an in situ crystal on ID30B at 17.5 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ4
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BU of 6fj4 by Molmil
Structure of FAE solved by SAD from data collected at the peak of the Selenium absorption edge on ID30B
Descriptor: CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-02-07
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ6
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BU of 6fj6 by Molmil
Structure of Thaumatin collected at 100K on ID30B
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-20
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FID
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BU of 6fid by Molmil
Bovine trypsin solved by S-SAD on ID30B
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-18
Release date:2018-02-07
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ8
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BU of 6fj8 by Molmil
Structure of Thaumatin collected from an in situ crystal collected on ID30B at 12.7 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GC2
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BU of 6gc2 by Molmil
AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface
Descriptor: Heavy chain, Light Chain
Authors:Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J.
Deposit date:2018-04-17
Release date:2019-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces.
Plos Comput.Biol., 15, 2019
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GG1
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BU of 6gg1 by Molmil
Structure of PROSS-edited human interleukin 24
Descriptor: Interleukin-24, NICKEL (II) ION, SULFATE ION
Authors:Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B.
Deposit date:2018-05-02
Release date:2019-05-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1.
Febs J., 286, 2019
6I0I
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BU of 6i0i by Molmil
Structure of the streptomyces subtilisin and TAMP inhibitor (SSTI)
Descriptor: Transglutaminase-activating metalloprotease inhibitor
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2018-10-26
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites.
Febs J., 287, 2020
5T1A
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BU of 5t1a by Molmil
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ...
Authors:Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M.
Deposit date:2016-08-18
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
3J4G
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BU of 3j4g by Molmil
Structure of lysozyme solved by MicroED to 2.9 A
Descriptor: Lysozyme C
Authors:Shi, D, Nannenga, B.L, Iadanza, M.G, Gonen, T.
Deposit date:2013-08-12
Release date:2013-11-13
Last modified:2015-04-15
Method:ELECTRON CRYSTALLOGRAPHY (2.901 Å)
Cite:Three-dimensional electron crystallography of protein microcrystals.
Elife, 2, 2013
3J4U
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BU of 3j4u by Molmil
A new topology of the HK97-like fold revealed in Bordetella bacteriophage: non-covalent chainmail secured by jellyrolls
Descriptor: cementing protein, major capsid protein
Authors:Zhang, X, Guo, H, Jin, L, Czornyj, E, Hodes, A, Hui, W.H, Nieh, A.W, Miller, J.F, Zhou, Z.H.
Deposit date:2013-10-09
Release date:2013-12-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A new topology of the HK97-like fold revealed in Bordetella bacteriophage by cryoEM at 3.5 A resolution.
Elife, 2, 2013

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