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PDB: 470 results

7SCP
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BU of 7scp by Molmil
The crystal structure of ScoE in complex with intermediate
Descriptor: (3R)-3-(oxaloamino)butanoic acid, 1,2-ETHANEDIOL, FE (II) ION, ...
Authors:Cha, L, Chen, J, Zhou, J, Chang, W.
Deposit date:2021-09-28
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis
Acs Catalysis, 12, 2022
6U9I
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BU of 6u9i by Molmil
Crystal structure of BvnE pinacolase from Penicillium brevicompactum
Descriptor: BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S.
Deposit date:2019-09-09
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
8CN0
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BU of 8cn0 by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNB
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BU of 8cnb by Molmil
Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNA
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BU of 8cna by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CMZ
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BU of 8cmz by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CND
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BU of 8cnd by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
Authors:Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
Deposit date:2012-11-28
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4YY0
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BU of 4yy0 by Molmil
The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2
Authors:Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F.
Deposit date:2015-03-23
Release date:2016-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
To Be Published
6U7Z
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BU of 6u7z by Molmil
RNA hairpin structure containing one TNA nucleotide as primer
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-03
Release date:2020-12-09
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
6U8U
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BU of 6u8u by Molmil
RNA duplex bound with TNA 3'-3' imidazolium dimer
Descriptor: 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
7AA9
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BU of 7aa9 by Molmil
Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1
Descriptor: Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA8
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BU of 7aa8 by Molmil
Structure of SCOC LIR bound to GABARAP
Descriptor: Chimera made of SCOC (6-23) + linker (GS) + GABARAP,Gamma-aminobutyric acid receptor-associated protein
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA7
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BU of 7aa7 by Molmil
Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1
Descriptor: Gamma-aminobutyric acid receptor-associated protein-like 1, pS12/pS18 SCOC LIR, sulfoacetic acid
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
6U8F
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BU of 6u8f by Molmil
RNA hairpin, bound with TNA monomer
Descriptor: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*AP*UP*GP*AP*AP*AP*GP*U)-3'), RNA (5'-R(P*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-04
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
6U89
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BU of 6u89 by Molmil
RNA duplex, bound with TNA monomer
Descriptor: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-04
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
6U7Y
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BU of 6u7y by Molmil
RNA hairpin structure containing one TNA nucleotide as template
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*(TG)P*CP*CP*GP*AP*AP*AP*GP*G)-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-03
Release date:2020-12-09
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
5C7M
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BU of 5c7m by Molmil
CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
7C0N
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BU of 7c0n by Molmil
Crystal structure of a self-assembling galactosylated peptide homodimer
Descriptor: SULFATE ION, Self-assembling galactosylated tyrosine-rich peptide, beta-D-galactopyranose
Authors:He, C, Wu, S, Chi, C, Zhang, W, Ma, M, Lai, L, Dong, S.
Deposit date:2020-05-01
Release date:2020-10-07
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Glycopeptide Self-Assembly Modulated by Glycan Stereochemistry through Glycan-Aromatic Interactions.
J.Am.Chem.Soc., 142, 2020
4YYB
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BU of 4yyb by Molmil
The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with human receptor analog 6'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ...
Authors:Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F.
Deposit date:2015-03-23
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution
To Be Published
8TF7
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BU of 8tf7 by Molmil
Apo structure of protein crystal of Tri17
Descriptor: AMP-binding protein
Authors:Zhai, R, Zhang, W.
Deposit date:2023-07-09
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:De novo biosynthesis of azide by a promiscuous N-nitrosylase
To Be Published
1KD6
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BU of 1kd6 by Molmil
Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II
Descriptor: EQUINATOXIN II
Authors:Hinds, M.G, Zhang, W, Anderluh, G, Hansen, P.E, Norton, R.S.
Deposit date:2001-11-12
Release date:2002-02-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II: implications for pore formation.
J.Mol.Biol., 315, 2002
6VPS
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BU of 6vps by Molmil
Cryo-EM structure of the amyloid core of Drosophila Orb2 isolated from head
Descriptor: Translational regulator orb2
Authors:Hervas, R, Rau, M.J, Park, Y, Zhang, W, Murzin, A.G, Fitzpatrick, J.A.J, Scheres, S.H.W, Si, K.
Deposit date:2020-02-04
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of a neuronal functional amyloid implicated in memory persistence in Drosophila
Science, 367, 2020
5MDN
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BU of 5mdn by Molmil
Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis
Descriptor: DNA polymerase, MAGNESIUM ION
Authors:Guo, J, Zhang, W, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Akhtar, M.
Deposit date:2016-11-12
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
6CV0
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BU of 6cv0 by Molmil
Cryo-electron microscopy structure of infectious bronchitis coronavirus spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Luo, C, Zhang, W, Li, F.
Deposit date:2018-03-27
Release date:2018-04-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM structure of infectious bronchitis coronavirus spike protein reveals structural and functional evolution of coronavirus spike proteins.
PLoS Pathog., 14, 2018

224004

数据于2024-08-21公开中

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