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5XAL
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Y99F mutant of Thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, MAGNESIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
4XET
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BU of 4xet by Molmil
Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-24
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF0
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cysteine dioxygenase variant - C93A at pH 8.0 with cysteine
Descriptor: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-03-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3994 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
5XRZ
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BU of 5xrz by Molmil
Structure of a ssDNA bound to the inner DNA binding site of RAD52
Descriptor: DNA repair protein RAD52 homolog, POTASSIUM ION, ssDNA (40-MER)
Authors:Saotome, M, Saito, K, Yasuda, T, Sugiyama, S, Kurumizaka, H, Kagawa, W.
Deposit date:2017-06-11
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Homology-Directed DNA Repair Mediated by RAD52
iScience, 3, 2018
4XCD
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BU of 4xcd by Molmil
Crystal structure of an octadecameric TF55 complex from S. solfataricus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit beta
Authors:Chaston, J.J, Stewart, A.G, Smits, C, Stock, D.
Deposit date:2014-12-17
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins.
Structure, 24, 2016
4XDJ
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BU of 4xdj by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4XFG
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BU of 4xfg by Molmil
cysteine dioxygenase variant - C93A at pH 6.2 with cysteine
Descriptor: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XAG
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BU of 4xag by Molmil
Cycles of destabilization and repair underlie the evolution of new enzyme function
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-14
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
5XAK
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BU of 5xak by Molmil
Crystal structure (form II) of thymidylate kinase from Thermus thermophilus HB8
Descriptor: CESIUM ION, CHLORIDE ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
5XWH
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BU of 5xwh by Molmil
Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH
Descriptor: FrnE protein
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2017-06-29
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH
To Be Published
5XDR
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BU of 5xdr by Molmil
Crystal structure of human DEAH-box RNA helicase DHX15 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX15, ...
Authors:Murakami, K, Nakano, K, Shimizu, T, Ohto, U.
Deposit date:2017-03-29
Release date:2017-06-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human DEAH-box RNA helicase 15 reveals a domain organization of the mammalian DEAH/RHA family
Acta Crystallogr F Struct Biol Commun, 73, 2017
4XE0
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BU of 4xe0 by Molmil
Idelalisib bound to the p110 subunit of PI3K delta
Descriptor: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Somoza, J.R, Villasenor, A.
Deposit date:2014-12-20
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.434 Å)
Cite:Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.
J.Biol.Chem., 290, 2015
4XF3
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BU of 4xf3 by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine and dithionite
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFC
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BU of 4xfc by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 unliganded
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFR
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BU of 4xfr by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
Descriptor: CITRIC ACID, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-28
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
5XJN
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BU of 5xjn by Molmil
cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate
Descriptor: (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Du, L, Li, S, Feng, Y.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4XBC
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BU of 4xbc by Molmil
1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form)
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
Deposit date:2014-12-16
Release date:2015-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
4XD3
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BU of 4xd3 by Molmil
Phosphotriesterase variant E3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XF1
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BU of 4xf1 by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XGJ
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BU of 4xgj by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
Descriptor: Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-02-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XF9
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BU of 4xf9 by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
5XDZ
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BU of 5xdz by Molmil
Crystal structure of zebrafish SNX25 PX domain
Descriptor: CHLORIDE ION, Cellular trafficking protein, SODIUM ION
Authors:Su, K, Zhang, Y, Xu, J, Liu, J.
Deposit date:2017-03-30
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
4XFM
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BU of 4xfm by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
Descriptor: THREONATE ION, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-27
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
5XU6
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BU of 5xu6 by Molmil
Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) from Cryptococcus neoformans
Descriptor: Inositol-pentakisphosphate 2-kinase, SULFATE ION
Authors:Oh, J, Rhee, S.
Deposit date:2017-06-22
Release date:2017-10-04
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans.
J. Struct. Biol., 200, 2017
5XUZ
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BU of 5xuz by Molmil
Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (CCCA PAM)
Descriptor: 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*CP*CP*CP*A)-3'), ...
Authors:Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2017-06-26
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1.
Mol. Cell, 67, 2017

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