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3EW7
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BU of 3ew7 by Molmil
Crystal structure of the Lmo0794 protein from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR162.
Descriptor: Lmo0794 protein
Authors:Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-14
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structure of the Lmo0794 protein from Listeria monocytogenes.
To be Published
3FGB
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BU of 3fgb by Molmil
Crystal structure of the Q89ZH8_BACTN protein from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR289b.
Descriptor: uncharacterized protein Q89ZH8_BACTN
Authors:Vorobiev, S.M, Lew, S, Seetharaman, J, Lee, D, Foote, L.E, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-05
Release date:2008-12-23
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Q89ZH8_BACTN protein from Bacteroides thetaiotaomicron.
To be Published
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
5TTT
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BU of 5ttt by Molmil
Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
Descriptor: Degenerin mec-4
Authors:Everett, J.K, Liu, G, Mao, B, Driscoll, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-11-04
Release date:2017-02-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
To Be Published
6T6B
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BU of 6t6b by Molmil
Crystal structure of PPARgamma in complex with compound 16 (MF27)
Descriptor: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Ni, X, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
3FB2
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BU of 3fb2 by Molmil
Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a.
Descriptor: Spectrin alpha chain, brain spectrin
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-18
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the human brain alpha spectrin repeats 15 and 16.
To be Published
1UE1
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BU of 1ue1 by Molmil
Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis
Descriptor: Single-strand binding protein, ZINC ION
Authors:Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-05-08
Release date:2004-02-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications
J.MOL.BIOL., 331, 2003
1UE7
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BU of 1ue7 by Molmil
Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis
Descriptor: Single-strand binding protein
Authors:Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-05-09
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications
J.MOL.BIOL., 331, 2003
5TTG
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BU of 5ttg by Molmil
Crystal structure of catalytic domain of GLP with MS012
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TVW
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BU of 5tvw by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, hemi-hydrolyzed
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, ...
Authors:Elnatan, D, Betegon, M, Agard, D.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-11-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
5UA1
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BU of 5ua1 by Molmil
Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator
Descriptor: DNA (5'-D(*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ...
Authors:Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2016-12-18
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of KstR in complex with cognate DNA operator
To Be Published
6SYP
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BU of 6syp by Molmil
Human DHODH bound to inhibitor IPP/CNRS-A017
Descriptor: 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-09-30
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor
Eur.J.Med.Chem., 208, 2020
3FIF
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BU of 3fif by Molmil
Crystal structure of the ygdR protein from E.coli. Northeast Structural Genomics target ER382A.
Descriptor: Uncharacterized ligand, Uncharacterized lipoprotein ygdR
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Rossi, P, Chen, C.X, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J.C, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-11
Release date:2009-01-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the ygdR protein from E.coli. Northeast Structural Genomics target ER382A.
To be Published
3FOK
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BU of 3fok by Molmil
Crystal Structure of Cgl0159 From Corynebacterium glutamicum (Brevibacterium flavum). Northeast Structural Genomics Target CgR115
Descriptor: uncharacterized protein Cgl0159
Authors:Seetharaman, J, Neely, H, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-30
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Cgl0159 From Corynebacterium glutamicum (Brevibacterium flavum). Northeast Structural Genomics Target CgR115
To be Published
5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
Descriptor: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-12-06
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
3FIA
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BU of 3fia by Molmil
Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.
Descriptor: CALCIUM ION, Intersectin-1, SULFATE ION
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-11
Release date:2008-12-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the EH 1 domain from human intersectin-1 protein.
To be Published
6YTD
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BU of 6ytd by Molmil
CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2)
Descriptor: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-24
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
6YTI
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BU of 6yti by Molmil
CLK1 bound with ETH1610 (Cpd 17)
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-24
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
3EXZ
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BU of 3exz by Molmil
Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. Northeast Structural Genomics Consortium target RrR103a.
Descriptor: MaoC-like dehydratase
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Wang, H, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-17
Release date:2008-10-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum.
To be Published
6YU1
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BU of 6yu1 by Molmil
CLK3 bound with beta-carboline KH-CARB13 (Cpd 3)
Descriptor: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ...
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-25
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
1U0R
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BU of 1u0r by Molmil
Crystal structure of Mycobacterium tuberculosis NAD kinase
Descriptor: Inorganic polyphosphate/ATP-NAD kinase
Authors:Garavaglia, S, Raffaelli, N, Finaurini, L, Magni, G, Rizzi, M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-07-14
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel fold revealed by Mycobacterium tuberculosis NAD kinase, a key allosteric enzyme in NADP biosynthesis
J.Biol.Chem., 279, 2004
3FOJ
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BU of 3foj by Molmil
Crystal Structure of SSP1007 From Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Target SyR101A.
Descriptor: SODIUM ION, uncharacterized protein
Authors:Seetharaman, J, Abashidze, M, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-30
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of SSP1007 From Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Target SyR101A.
To be Published
1U0T
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BU of 1u0t by Molmil
Crystal structure of Mycobacterium tuberculosis NAD kinase
Descriptor: Inorganic polyphosphate/ATP-NAD kinase
Authors:Garavaglia, S, Raffaelli, N, Finaurini, L, Magni, G, Rizzi, M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-07-14
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel fold revealed by Mycobacterium tuberculosis NAD kinase, a key allosteric enzyme in NADP biosynthesis
J.Biol.Chem., 279, 2004
7FHJ
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BU of 7fhj by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2021-07-29
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
4N6C
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BU of 4n6c by Molmil
Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36.
Descriptor: BROMIDE ION, uncharacterized protein
Authors:Vorobiev, S, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-11
Release date:2013-10-30
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae.
To be Published

221716

數據於2024-06-26公開中

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