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2ODT
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BU of 2odt by Molmil
Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase
Descriptor: Inositol-tetrakisphosphate 1-kinase
Authors:Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Hammarstrom, M, Holmberg, S.L, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2006-12-26
Release date:2007-02-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase
To be Published
2LC3
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BU of 2lc3 by Molmil
Solution NMR structure of a helical bundle domain from human E3 ligase HECTD1. Northeast structural genomics consortium (NESG) target HT6305A
Descriptor: E3 ubiquitin-protein ligase HECTD1
Authors:Lemak, A, Yee, A, Houliston, S, Garcia, M, Arrowsmith, C, Dhe-Paganon, S, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
Deposit date:2011-04-15
Release date:2011-06-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of a helical bundle from the E3 ligase HECTD1
To be Published
2KZ6
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BU of 2kz6 by Molmil
Solution structure of protein CV0426 from Chromobacterium violaceum, Northeast structural genomics consortium (NESG) target CVT2
Descriptor: Uncharacterized protein
Authors:Lemak, A, Yee, A, Lee, H, Semesi, A, Prestegard, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-11
Release date:2010-06-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of protein CV0426 from Chromobacterium violaceum
To be Published
2KZ4
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BU of 2kz4 by Molmil
Solution structure of protein SF1141 from Shigella flexneri 2a, Northeast structural genomics consortium (NESG) target SFT2
Descriptor: Putative head-tail adaptor
Authors:Lemak, A, Yee, A, Garcia, M, Lee, H.-W, Prestegard, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of protein SF1141 from Shigella flexneri 2a
To be Published
2O23
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BU of 2o23 by Molmil
The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
Descriptor: GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
2O2V
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BU of 2o2v by Molmil
Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 3
Authors:Filippakopoulos, P, Savitsky, P, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2006-11-30
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
To be Published
2NPT
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BU of 2npt by Molmil
Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 2
Authors:Filippakopoulos, P, Debreczeni, J, Papagrigoriou, V, Turnbull, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2006-10-30
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
To be Published
2K5J
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BU of 2k5j by Molmil
Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1
Descriptor: uncharacterized protein yiiF
Authors:Wu, Y, Singarapu, K, Semesi, A, Yee, A, Bansal, S, Prestegard, J, Arrowsmith, C, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-28
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1
To be Published
2PD0
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BU of 2pd0 by Molmil
Protein cgd2_2020 from Cryptosporidium parvum
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein
Authors:Cymborowski, M, Chruszcz, M, Hills, T, Lew, J, Melone, M, Zhao, Y, Artz, J, Wernimont, A, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Arrowsmith, C, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
Deposit date:2007-03-30
Release date:2007-04-17
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein cgd2_2020 from Cryptosporidium parvum
To be Published
2Q58
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BU of 2q58 by Molmil
Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID
Authors:Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
Deposit date:2007-05-31
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
4UUU
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BU of 4uuu by Molmil
1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE
Authors:Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-07-31
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
1RCS
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BU of 1rcs by Molmil
NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX
Descriptor: DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN
Authors:Zhao, D, Zheng, Z.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structures of the trp repressor-operator DNA complex.
J.Mol.Biol., 238, 1994
8VIS
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BU of 8vis by Molmil
Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C.
Deposit date:2024-01-05
Release date:2024-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural basis of TMPRSS11D specificity and autocleavage activation
Biorxiv, 2024
2AMX
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BU of 2amx by Molmil
Crystal structure of Plasmodium Yoelii Adenosine deaminase (PY02076)
Descriptor: COBALT (II) ION, UNKNOWN ATOM OR ION, adenosine deaminase
Authors:Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2005-08-10
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2A4D
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BU of 2a4d by Molmil
Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1)
Descriptor: Ubiquitin-conjugating enzyme E2 variant 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-06-28
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-21
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
1WRS
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BU of 1wrs by Molmil
NMR STUDY OF HOLO TRP REPRESSOR
Descriptor: HOLO TRP REPRESSOR, TRYPTOPHAN
Authors:Zhao, D, Zheng, Z.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Refined solution structures of the Escherichia coli trp holo- and aporepressor.
J.Mol.Biol., 229, 1993
1WRT
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BU of 1wrt by Molmil
NMR STUDY OF APO TRP REPRESSOR
Descriptor: APO TRP REPRESSOR
Authors:Zhao, D, Zheng, Z.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Refined solution structures of the Escherichia coli trp holo- and aporepressor.
J.Mol.Biol., 229, 1993
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
2PZ9
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BU of 2pz9 by Molmil
Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
Descriptor: Putative regulatory protein, SULFATE ION
Authors:Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-05-17
Release date:2007-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
3MAO
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BU of 3mao by Molmil
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
Descriptor: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ...
Authors:Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
To be Published
1EPZ
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BU of 1epz by Molmil
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND.
Descriptor: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE
Authors:Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M.
Deposit date:2000-03-30
Release date:2000-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
1EJE
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BU of 1eje by Molmil
CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ...
Authors:Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-02
Release date:2000-10-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000

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