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PDB: 682 results
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
3VPS
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BU of 3vps by Molmil
Structure of a novel NAD dependent-NDP-hexosamine 5,6-dehydratase, TunA, involved in tunicamycin biosynthesis
Descriptor: NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Wyszynski, F.J, Lee, S.S, Yabe, T, Wang, H, Gomez-Escribano, J.P, Bibb, M.J, Lee, S.J, Davies, G.J, Davis, B.G.
Deposit date:2012-03-12
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biosynthesis of nucleoside antibiotic tunicamycin proceeds via unique exo-glycal intermediates
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
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
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
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
3TKT
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BU of 3tkt by Molmil
Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
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
7CYQ
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BU of 7cyq by Molmil
Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ...
Authors:Yan, L, Ge, J, Zheng, L, Zhang, Y, Gao, Y, Wang, T, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-04
Release date:2020-12-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM Structure of an Extended SARS-CoV-2 Replication and Transcription Complex Reveals an Intermediate State in Cap Synthesis.
Cell, 184, 2021
7CXN
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BU of 7cxn by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
7CXM
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BU of 7cxm by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
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:2023-11-29
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
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
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
7WC7
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BU of 7wc7 by Molmil
Crystal structure of serotonin 2A receptor in complex with lisuride
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
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
7WC4
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BU of 7wc4 by Molmil
Crystal structure of serotonin 2A receptor in complex with serotonin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
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 (3.2 Å)
Cite:Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
2LEK
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BU of 2lek by Molmil
Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium target RpR325
Descriptor: Putative thiamin biosynthesis ThiS
Authors:Ramelot, T.A, Cort, J.R, Lee, H, Wang, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Swapna, G, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-16
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium target RpR325
To be Published
5X9J
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BU of 5x9j by Molmil
Structure of PrhC from Penicillium brasilianum NBRC 6234
Descriptor: PrhC
Authors:Mori, T, Wang, H, Matsuda, Y, Abe, I.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017

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