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2GEZ
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BU of 2gez by Molmil
Crystal structure of potassium-independent plant asparaginase
Descriptor: CHLORIDE ION, L-asparaginase alpha subunit, L-asparaginase beta subunit, ...
Authors:Michalska, K, Bujacz, G, Jaskolski, M.
Deposit date:2006-03-21
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of plant asparaginase.
J.Mol.Biol., 360, 2006
4KY3
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BU of 4ky3 by Molmil
Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327
Descriptor: designed protein OR327
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-28
Release date:2013-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.964 Å)
Cite:Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
4KYZ
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BU of 4kyz by Molmil
Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327
Descriptor: Designed protein OR327
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-29
Release date:2013-07-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
3E48
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BU of 3e48 by Molmil
Crystal structure of a nucleoside-diphosphate-sugar epimerase (SAV0421) from Staphylococcus aureus, Northeast Structural Genomics Consortium Target ZR319
Descriptor: MAGNESIUM ION, Putative nucleoside-diphosphate-sugar epimerase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, D, Tong, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-08-11
Release date:2008-08-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:

3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
1MZG
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BU of 1mzg by Molmil
X-Ray Structure of SufE from E.coli Northeast Structural Genomics (NESG) Consortium Target ER30
Descriptor: SufE Protein
Authors:Kuzin, A, Edstrom, W.C, Xiao, R, Acton, T.B, Rost, B, Tong, L, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-10-07
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The SufE sulfur-acceptor protein contains a conserved core structure that mediates interdomain interactions in a variety of redox protein complexes
J.Mol.Biol., 344, 2004
1TVG
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BU of 1tvg by Molmil
X-ray structure of human PP25 gene product, HSPC034. Northeast Structural Genomics Target HR1958.
Descriptor: CALCIUM ION, LOC51668 protein, SAMARIUM (III) ION
Authors:Kuzin, A.P, Vorobiev, S.M, Lee, I, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-29
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving NMR protein structure quality by Rosetta refinement: a molecular replacement study.
Proteins, 75, 2009
3L0V
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BU of 3l0v by Molmil
Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0T
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BU of 3l0t by Molmil
Crystal structure of catalytic domain of TACE with hydantoin inhibitor
Descriptor: Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4E2A
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BU of 4e2a by Molmil
Crystal Structure of the Putative acetyltransferase from Streptococcus mutans
Descriptor: Putative acetyltransferase
Authors:Li, G.L, Nie, J.K, Li, L.F, Su, X.D.
Deposit date:2012-03-08
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Putative acetyltransferase from Streptococcus mutans
To be Published
4DRT
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BU of 4drt by Molmil
Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89
Descriptor: CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ...
Authors:Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3E08
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BU of 3e08 by Molmil
H55S mutant Xanthomonas campestris tryptophan 2,3-dioxygenase
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase
Authors:Mowat, C.G, Campbell, L.P.
Deposit date:2008-07-31
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
4ETK
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BU of 4etk by Molmil
Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186
Descriptor: De novo designed serine hydrolase, SODIUM ION
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ETJ
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BU of 4etj by Molmil
Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
Authors:Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-08
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Descriptor: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.
Deposit date:2009-04-10
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
4ESS
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BU of 4ess by Molmil
Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187
Descriptor: OR187
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9971 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
2BCO
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BU of 2bco by Molmil
X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14
Descriptor: Succinylglutamate desuccinylase, ZINC ION
Authors:Kuzin, A.P, Abashidze, M, Forouhar, F, Benach, J, Zhou, W, Acton, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-10-19
Release date:2005-10-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14
To be Published
2LUZ
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BU of 2luz by Molmil
Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12
Descriptor: CalU16
Authors:Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
2INW
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BU of 2inw by Molmil
Crystal structure of Q83JN9 from Shigella flexneri at high resolution. Northeast Structural Genomics Consortium target SfR137.
Descriptor: PHOSPHATE ION, Putative structural protein
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Vorobiev, S.M, Wang, D, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-10-09
Release date:2006-10-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2IF2
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BU of 2if2 by Molmil
Crystal Structure of the Putative Dephospho-CoA Kinase from Aquifex aeolicus, Northeast Structural Genomics Target QR72.
Descriptor: 1,2-ETHANEDIOL, Dephospho-CoA kinase, SULFATE ION
Authors:Forouhar, F, Hussain, M, Seetharaman, J, Hussain, A, Wu, M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Rost, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:

2ID1
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BU of 2id1 by Molmil
X-Ray Crystal Structure of Protein CV0518 from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR5.
Descriptor: Hypothetical protein, IODIDE ION
Authors:Forouhar, F, Zhou, W, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:

2IFA
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BU of 2ifa by Molmil
Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.
Descriptor: FLAVIN MONONUCLEOTIDE, Hypothetical protein SMU.260
Authors:Forouhar, F, Chen, Y, Xiao, R, Ma, L.C, Byler, T, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-20
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:

2H28
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BU of 2h28 by Molmil
Crystal structure of YeeU from E. coli. Northeast Structural Genomics target ER304
Descriptor: CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ...
Authors:Arbing, M, Su, M, Benach, J, Karpowich, N.K, Jiang, M, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-18
Release date:2006-07-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
3TP4
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BU of 3tp4 by Molmil
Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-07
Release date:2011-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014

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