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5JGC
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BU of 5jgc by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A, L130A, L179A and I195A mutant
Descriptor: Protein TPR1, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-20
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
Descriptor: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Joseph, S, Rodenberger, A.
Deposit date:2020-05-04
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
6XPE
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BU of 6xpe by Molmil
Cryo-EM structure of human ZnT8 WT, in the presence of zinc, determined in outward-facing conformation
Descriptor: ZINC ION, Zinc transporter 8
Authors:Bai, X.C, Xue, J, Jiang, Y.X.
Deposit date:2020-07-08
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations.
Elife, 9, 2020
6XPD
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BU of 6xpd by Molmil
Cryo-EM structure of human ZnT8 double mutant - D110N and D224N, determined in outward-facing conformation
Descriptor: ZINC ION, Zinc transporter 8
Authors:Bai, X.C, Xue, J, Jiang, Y.X.
Deposit date:2020-07-08
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations.
Elife, 9, 2020
3TYQ
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BU of 3tyq by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Descriptor: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N9K
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BU of 4n9k by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
Descriptor: Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-19
Release date:2014-09-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
6XH7
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BU of 6xh7 by Molmil
CueR-TAC without RNA
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XH8
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BU of 6xh8 by Molmil
CueR-transcription activation complex with RNA transcript
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XTI
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BU of 6xti by Molmil
NMR solution structure of class IV lasso peptide felipeptin A2 from Amycolatopsis sp. YIM10
Descriptor: Felipeptin A2
Authors:Madland, E, Aachmann, F.L, Guerrero-Garzon, J.F, Zotchev, S.B, Courtade, G.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Class IV Lasso Peptides Synergistically Induce Proliferation of Cancer Cells and Sensitize Them to Doxorubicin.
Iscience, 23, 2020
6XTH
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BU of 6xth by Molmil
NMR solution structure of class IV lasso peptide felipeptin A1 from Amycolatopsis sp. YIM10
Descriptor: Felipeptin A1
Authors:Madland, E, Guerrero-Garzon, J.F, Zotchev, S.B, Aachmann, F.L, Courtade, G.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Class IV Lasso Peptides Synergistically Induce Proliferation of Cancer Cells and Sensitize Them to Doxorubicin.
Iscience, 23, 2020
6XPF
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BU of 6xpf by Molmil
Cryo-EM structure of human ZnT8 WT, in the absence of zinc, determined in heterogeneous conformations- one subunit in an inward-facing and the other in an outward-facing conformation
Descriptor: ZINC ION, Zinc transporter 8
Authors:Bai, X.C, Xue, J, Jiang, Y.X.
Deposit date:2020-07-08
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations.
Elife, 9, 2020
6WIB
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BU of 6wib by Molmil
Next generation monomeric IgG4 Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 4, ZINC ION
Authors:Oganesyan, V.Y, Shan, L, Dall'Acqua, W, van Dyk, N.
Deposit date:2020-04-09
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WOL
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BU of 6wol by Molmil
Next generation monomeric IgG4 Fc bound to neonatal Fc receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ...
Authors:Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
Deposit date:2020-04-24
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WNA
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BU of 6wna by Molmil
Next generation monomeric IgG4 Fc
Descriptor: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, Immunoglobulin heavy constant gamma 4, ...
Authors:Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
Deposit date:2020-04-22
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WMH
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BU of 6wmh by Molmil
Next generation monomeric IgG4 Fc
Descriptor: Immunoglobulin heavy constant gamma 4
Authors:Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
Deposit date:2020-04-21
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
7YV4
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BU of 7yv4 by Molmil
Crystal structure of human UCHL3 in complex with Farrerol
Descriptor: (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Ubiquitin carboxyl-terminal hydrolase isozyme L3
Authors:Mao, Z.Y, Xu, X.J, Zhang, W.T.
Deposit date:2022-08-18
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Farrerol directly activates the deubiqutinase UCHL3 to promote DNA repair and reprogramming when mediated by somatic cell nuclear transfer.
Nat Commun, 14, 2023
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Das, K, Lin, W, Ebright, E.
Deposit date:2017-12-19
Release date:2018-02-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
4FBG
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BU of 4fbg by Molmil
Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-05-23
Release date:2012-11-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
Descriptor: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
Descriptor: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
Descriptor: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
8X17
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BU of 8x17 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF102
Descriptor: Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024

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數據於2024-06-12公開中

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