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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
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
Descriptor: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.1752 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I88
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BU of 5i88 by Molmil
BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
Descriptor: 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ...
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
Descriptor: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
Deposit date:2018-10-07
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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
Last modified:2024-11-13
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
6IIM
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BU of 6iim by Molmil
USP14 catalytic domain with IU1-206
Descriptor: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
Deposit date:2018-10-07
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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
6IIN
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BU of 6iin by Molmil
USP14 catalytic domain with IU1-248
Descriptor: 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
Descriptor: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
Descriptor: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
Descriptor: C3a anaphylatoxin chemotactic receptor, 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:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
Descriptor: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8GTD
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BU of 8gtd by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex
Descriptor: Head-to-tail joining protein, Portal protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTA
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BU of 8gta by Molmil
Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid
Descriptor: Major capsid protein
Authors:Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-07
Release date:2023-07-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTB
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BU of 8gtb by Molmil
Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein
Descriptor: Major tail protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTC
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BU of 8gtc by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex
Descriptor: Distal tail protein, Hub protein, Major tail protein, ...
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTF
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BU of 8gtf by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex
Descriptor: Head-to-tail joining protein, Major tail protein, Terminator protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
7Y9G
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BU of 7y9g by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
7Y9H
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BU of 7y9h by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diterpene synthase VenA, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
5ZI6
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BU of 5zi6 by Molmil
The RING domain structure of MEX-3C
Descriptor: RNA-binding E3 ubiquitin-protein ligase MEX3C, ZINC ION
Authors:Moududee, S.A, Tang, Y.
Deposit date:2018-03-14
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of hMEX-3C Ring finger domain as an E3 ubiquitin ligase
Protein Sci., 27, 2018
7X38
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BU of 7x38 by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022

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PDB entries from 2024-11-13

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