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7E6U
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BU of 7e6u by Molmil
the complex of inactive CaSR and NB2D11
Descriptor: Extracellular calcium-sensing receptor, NB-2D11
Authors:Geng, Y, Chen, X.C, Wang, L, Cui, Q.Q, Ding, Z.Y, Han, L, Kou, Y.J, Zhang, W.Q, Wang, H.N, Jia, X.M, Dai, M, Shi, Z.Z, Li, Y.Y, Li, X.Y.
Deposit date:2021-02-24
Release date:2021-09-22
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural insights into the activation of human calcium-sensing receptor.
Elife, 10, 2021
6LSB
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BU of 6lsb by Molmil
Crystal Structure of DPF domain of MOZ in complex with H3K14bz peptide
Descriptor: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
Authors:Li, H.T, Ren, X.L.
Deposit date:2020-01-17
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
4HOZ
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BU of 4hoz by Molmil
The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose
Descriptor: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
Authors:Xu, Z, Li, S, Xu, H, Zhou, J.
Deposit date:2012-10-23
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
2B5X
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BU of 2b5x by Molmil
Solution Structure of a Thioredoxin-like Protein in the Reduced Form
Descriptor: YkuV protein
Authors:Zhang, X, Xia, B, Jin, C.
Deposit date:2005-09-29
Release date:2006-01-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Descriptor: Integrin beta-2
Authors:Li, H, Guo, J, Xu, C.
Deposit date:2018-02-09
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
2B5Y
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BU of 2b5y by Molmil
Solution Structure of a Thioredoxin-like Protein in the Oxidized Form
Descriptor: YkuV protein
Authors:Zhang, X, Xia, B, Jin, C.
Deposit date:2005-09-29
Release date:2006-01-17
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
8WWW
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BU of 8www by Molmil
Crystal structure of the adenylation domain of SyAstC
Descriptor: Carrier domain-containing protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Li, Z, Zhu, Z, Zhu, D, Shen, Y.
Deposit date:2023-10-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Functional Application of the Single-Module NRPS-like d-Alanyltransferase in Maytansinol Biosynthesis
Acs Catalysis, 14, 2024
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Descriptor: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
Authors:Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
Deposit date:2021-10-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
5ZTC
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BU of 5ztc by Molmil
Apo structure of TetR family transcription regulator Lmo2088 of Listeria monocytogenes EGDe
Descriptor: Lmo2088 protein, PENTAETHYLENE GLYCOL
Authors:Samad, A, Jin, T.
Deposit date:2018-05-02
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structure of putative transcription regulator lmo2088 from Listeria monocytogenes.
Biochem.Biophys.Res.Commun., 520, 2019
5ZXV
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BU of 5zxv by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
Descriptor: MERS-CoV RBD, heavy chain, light chain
Authors:Zhang, S, Wang, X.
Deposit date:2018-05-21
Release date:2018-07-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.482 Å)
Cite:Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
Descriptor: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
6AFK
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BU of 6afk by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Descriptor: N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
8J5Z
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BU of 8j5z by Molmil
The cryo-EM structure of the TwOSC1 tetramer
Descriptor: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
Authors:Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
Deposit date:2023-04-24
Release date:2023-11-01
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3K04
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BU of 3k04 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K0D
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BU of 3k0d by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
6IV9
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BU of 6iv9 by Molmil
the Cas13d binary complex
Descriptor: Cas13d, MAGNESIUM ION, crRNA (50-MER)
Authors:Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
Deposit date:2018-12-02
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DA4
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BU of 7da4 by Molmil
Cryo-EM structure of amyloid fibril formed by human RIPK3
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Zhao, K, Ma, Y.Y, Sun, Y.P, Li, D, Liu, C.
Deposit date:2020-10-14
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
3KVL
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BU of 3kvl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3K06
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BU of 3k06 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K0G
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BU of 3k0g by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011

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数据于2024-10-16公开中

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