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2RA2
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BU of 2ra2 by Molmil
X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A. Northeast Structural Genomics Consortium target StR88A
Descriptor: Putative lipoprotein
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-14
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A.
To be Published
2RAD
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BU of 2rad by Molmil
Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135
Descriptor: Succinoglycan biosynthesis protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-14
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the succinoglycan biosynthesis protein.
To be Published
4KAA
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BU of 4kaa by Molmil
Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150
Descriptor: DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION
Authors:Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:Northeast Structural Genomics Consortium Target OR150
To be Published
3UE8
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BU of 3ue8 by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ...
Authors:Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R.
Deposit date:2011-10-28
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
2RB6
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BU of 2rb6 by Molmil
X-Ray structure of the protein Q8EI81. Northeast Structural Genomics Consortium target SoR78A
Descriptor: Uncharacterized protein
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-18
Release date:2007-10-23
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray structure of the protein Q8EI81.
To be Published
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
2HD1
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BU of 2hd1 by Molmil
Crystal structure of PDE9 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
Authors:Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
Deposit date:2006-06-19
Release date:2006-06-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
2L7K
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BU of 2l7k by Molmil
Solution NMR Structure of protein CD1104.2 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
Descriptor: Uncharacterized protein
Authors:Pulavarti, S.V.S.R.K, Eletsky, A, Mills, J.L, Sukumaran, D.K, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-12-13
Release date:2011-02-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of CfR130 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
To be Published
2HLI
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BU of 2hli by Molmil
Solution structure of Crotonaldehyde-Derived N2-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct in the 5'-CpG-3' Sequence
Descriptor: DNA dodecamer, DNA dodecamer with S-crotonaldehyde adduct
Authors:Cho, Y.-J, Wang, H, Kozekov, I.D, Kurtz, A.J, Jacob, J, Voehler, M, Smith, J, Harris, T.M, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-07
Release date:2006-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Orientation of the Crotonaldehyde-Derived N(2)-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct Hinders Interstrand Cross-Link Formation in the 5'-CpG-3' Sequence
Chem.Res.Toxicol., 19, 2006
2KS0
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BU of 2ks0 by Molmil
Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, Northeast Structural Genomics Consortium Target DhR8C
Descriptor: Uncharacterized protein
Authors:Yang, Y, Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Foote, E.L, Jiang, M, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-12-23
Release date:2010-01-12
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Combining NMR and EPR methods for homodimer protein structure determination.
J.Am.Chem.Soc., 132, 2010
2KYI
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BU of 2kyi by Molmil
Solution NMR structure of Dsy0195(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C
Descriptor: Uncharacterized protein
Authors:Yang, Y, Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Foote, E.L, Jiang, M, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-05-27
Release date:2010-06-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Combining NMR and EPR methods for homodimer protein structure determination.
J.Am.Chem.Soc., 132, 2010
2KYW
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BU of 2kyw by Molmil
Solution NMR Structure of a domain of adhesion exoprotein from Pediococcus pentosaceus, Northeast Structural Genomics Consortium Target PtR41O
Descriptor: Adhesion exoprotein
Authors:He, Y, Eletsky, A, Mills, J.L, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H.-W, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-09
Release date:2010-08-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a domain of adhesion exoprotein from Pediococcus pentosaceus, Northeast Structural Genomics Consortium Target PtR41O
To be Published
5WH6
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BU of 5wh6 by Molmil
Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91)
Descriptor: 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Ke, H, Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
5ZHZ
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BU of 5zhz by Molmil
Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis
Descriptor: Probable endonuclease 4, SULFATE ION, ZINC ION
Authors:Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z.
Deposit date:2018-03-13
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 498, 2018
2JVM
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BU of 2jvm by Molmil
Solution NMR structure of Rhodobacter sphaeroides protein RHOS4_26430. Northeast Structural Genomics Consortium target RhR95
Descriptor: Uncharacterized protein
Authors:Eletsky, A, Sukumaran, D, Zhang, Q, Parish, D, Xu, D, Wang, H, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-21
Release date:2007-10-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structure of Rhodobacter sphaeroides protein RHOS4_26430.
To be Published
2L5Q
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BU of 2l5q by Molmil
Solution NMR Structure of BVU_3817 from Bacteroides vulgatus, Northeast Structural Genomics Consortium Target BvR159
Descriptor: Uncharacterized protein
Authors:Mills, J.L, Eletsky, A, Lee, H, Wang, H, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-03
Release date:2011-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target BvR159
To be Published
2KO1
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BU of 2ko1 by Molmil
Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A
Descriptor: GTP pyrophosphokinase
Authors:Eletsky, A, Garcia, E, Wang, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-09-08
Release date:2009-09-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum
To be Published
2LFC
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BU of 2lfc by Molmil
Solution NMR Structure of Fumarate reductase flavoprotein subunit from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR145J
Descriptor: Fumarate reductase, flavoprotein subunit
Authors:Liu, G, Tang, Y, Xiao, R, Janjua, H, Ciccosanti, C, Wang, H, Acton, T, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-29
Release date:2011-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target LpR145J
To be Published
2MA6
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BU of 2ma6 by Molmil
Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A
Descriptor: E3 ubiquitin-protein ligase RNF123, ZINC ION
Authors:Ramelot, T.A, Yang, Y, Janjua, H, Kohan, E, Wang, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-28
Release date:2013-07-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A
To be Published
2KCT
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BU of 2kct by Molmil
Solution nmr structure of the ob-fold domain of heme chaperone ccme from desulfovibrio vulgaris. northeast structural genomics target dvr115g.
Descriptor: Cytochrome c-type biogenesis protein CcmE
Authors:Aramini, J.M, Rossi, P, Lee, H, Lemak, A, Wang, H, Foote, E.L, Jiang, M, Xiao, R, Nair, R, Swapna, G.V.T, Acton, T.B, Rost, B, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-29
Release date:2009-02-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution nmr structure of the ob-fold domain of heme chaperone ccme from desulfovibrio vulgaris. northeast structural genomics target dvr115g.
To be Published
2MIO
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BU of 2mio by Molmil
Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A
Descriptor: Rho GTPase-activating protein 10
Authors:Xu, X, Eletsky, A, Pulavarti, S.V.S.R.K, Wang, H, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-12-16
Release date:2014-01-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A
To be Published
7WC5
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BU of 7wc5 by Molmil
Crystal structure of serotonin 2A receptor in complex with psilocin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ...
Authors:Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
Deposit date:2021-12-18
Release date:2022-01-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC6
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BU of 7wc6 by Molmil
Crystal structure of serotonin 2A receptor in complex with LSD
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
Authors:Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
Deposit date:2021-12-18
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC8
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BU of 7wc8 by Molmil
Crystal structure of serotonin 2A receptor in complex with lumateperone
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
Authors:Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
Deposit date:2021-12-18
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC9
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BU of 7wc9 by Molmil
Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog
Descriptor: (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
Authors:Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
Deposit date:2021-12-18
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022

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