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5DIL
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BU of 5dil by Molmil
Crystal structure of the effector domain of the NS1 protein from influenza virus B
Descriptor: IODIDE ION, Non-structural protein 1
Authors:Guan, R, Hamilton, K, Ma, L, Montelione, G.T.
Deposit date:2015-09-01
Release date:2016-08-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A Second RNA-Binding Site in the NS1 Protein of Influenza B Virus.
Structure, 24, 2016
6R2M
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BU of 6r2m by Molmil
Crystal structure of PssZ from Listeria monocytogenes
Descriptor: Glycoside transferase
Authors:Wu, H, Cheng, J, Qiao, S, Li, D, Ma, L.
Deposit date:2019-03-18
Release date:2019-07-24
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.617 Å)
Cite:Crystal structure of the glycoside hydrolase PssZ from Listeria monocytogenes.
Acta Crystallogr.,Sect.F, 75, 2019
6JCN
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BU of 6jcn by Molmil
Yeast dehydrodolichyl diphosphate synthase complex subunit NUS1
Descriptor: Dehydrodolichyl diphosphate synthase complex subunit NUS1, SULFATE ION
Authors:Ko, T.-P, Ma, J, Liu, W, Chen, C.-C, Guo, R.-T.
Deposit date:2019-01-29
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights to heterodimeric cis-prenyltransferases through yeast dehydrodolichyl diphosphate synthase subunit Nus1.
Biochem.Biophys.Res.Commun., 515, 2019
8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
Deposit date:2022-08-30
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
4HZL
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BU of 4hzl by Molmil
Neutralizing antibody mAb#8 in complex with the Epitope II of HCV E2 envelope protein
Descriptor: E2 envelop protein, Fab heavy chain, Fab light chain
Authors:Deng, L, Zhang, P.
Deposit date:2012-11-15
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural evidence for a bifurcated mode of action in the antibody-mediated neutralization of hepatitis C virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
1R57
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BU of 1r57 by Molmil
NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus. Northeast Structural Genomics Consortium Target ZR31
Descriptor: conserved hypothetical protein
Authors:Cort, J.R, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-10-09
Release date:2004-03-09
Last modified:2019-11-06
Method:SOLUTION NMR
Cite:Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins.
J.STRUCT.FUNCT.GENOM., 9, 2008
1ZTS
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BU of 1zts by Molmil
Solution Structure of Bacillus Subtilis Protein YQBG: Northeast Structural Genomics Consortium Target SR215
Descriptor: Hypothetical protein yqbG
Authors:Liu, G, Shen, Y, Xiao, R, Acton, T, Ma, L, Joachimiak, A, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-05-27
Release date:2005-07-12
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure of protein yqbG from Bacillus subtilis reveals a novel alpha-helical protein fold.
Proteins, 62, 2006
8FGZ
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BU of 8fgz by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH1
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BU of 8fh1 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH2
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BU of 8fh2 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH0
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BU of 8fh0 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FGY
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BU of 8fgy by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8HB2
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BU of 8hb2 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand II
Descriptor: 2-OXOGLUTARIC ACID, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HAZ
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BU of 8haz by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand I
Descriptor: DNA N6-methyl adenine demethylase, SULFATE ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HBB
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BU of 8hbb by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand III
Descriptor: CHLORIDE ION, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
4IVT
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BU of 4ivt by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION
Authors:Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
Deposit date:2013-01-23
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
4IVS
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BU of 4ivs by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
Authors:Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
Deposit date:2013-01-23
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.636 Å)
Cite:Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
7VGG
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BU of 7vgg by Molmil
Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1
Descriptor: E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P.
Deposit date:2021-09-16
Release date:2022-05-04
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
Descriptor: SULFATE ION, Secreted in xylem Six8
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
Descriptor: D(-)-TARTARIC ACID, Secreted in xylem Six6
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
7ROT
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BU of 7rot by Molmil
Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ...
Authors:Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2021-08-02
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
7ROU
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BU of 7rou by Molmil
Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr
Descriptor: SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ...
Authors:Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2021-08-02
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022

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