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PDB: 86 results

7EIK
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BU of 7eik by Molmil
RD4-BD1 in complex with LT-872-297
Descriptor: 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
Authors:Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RD4-BD1 in complex with LT-872-297
To Be Published
7EIL
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BU of 7eil by Molmil
BRD4-BD1 in complex with LT-909-110
Descriptor: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
Authors:Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
7DMP
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BU of 7dmp by Molmil
Mouse radial spoke complex
Descriptor: Radial spoke head 1 homolog, Radial spoke head protein 4 homolog A, Radial spoke head protein 9 homolog
Authors:Zheng, W, Cong, Y.
Deposit date:2020-12-05
Release date:2021-07-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct architecture and composition of mouse axonemal radial spoke head revealed by cryo-EM
Proc.Natl.Acad.Sci.USA, 118, 2021
8EHW
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BU of 8ehw by Molmil
cryo-EM structure of TMEM63A in nanodisc
Descriptor: CSC1-like protein 1
Authors:Zheng, W, Fu, T.M, Holt, J.R.
Deposit date:2022-09-14
Release date:2023-08-23
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels.
Neuron, 111, 2023
8EHX
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BU of 8ehx by Molmil
cryo-EM structure of TMEM63B in LMNG
Descriptor: CSC1-like protein 2
Authors:Zheng, W, Fu, T.M, Holt, J.R.
Deposit date:2022-09-14
Release date:2023-08-23
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels.
Neuron, 111, 2023
5WDA
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BU of 5wda by Molmil
Structure of the PulG pseudopilus
Descriptor: CALCIUM ION, General secretion pathway protein G
Authors:Lopez-Castilla, A, Thomassin, J.L, Bardiaux, B, Zheng, W, Nivaskumar, M, Yu, X, Nilges, M, Egelman, E.H, Izadi-Pruneyre, N, Francetic, O.
Deposit date:2017-07-04
Release date:2017-10-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
5WCO
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BU of 5wco by Molmil
Matrix Protein (M1) of Infectious Salmon Anaemia Virus
Descriptor: NS2
Authors:Zhang, W, Zheng, W, Toh, Y, Betancourt, M.A, Tu, J, Fan, Y, Vakharia, V, Liu, J, McNew, J.A, Jin, M, Tao, Y.J.
Deposit date:2017-07-01
Release date:2017-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Crystal structure of an orthomyxovirus matrix protein reveals mechanisms for self-polymerization and membrane association.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GV9
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BU of 6gv9 by Molmil
Structure of the type IV pilus from enterohemorrhagic Escherichia coli (EHEC)
Descriptor: Prepilin peptidase-dependent protein D
Authors:Bardiaux, B, Amorim, G.C, Luna-Rico, A, Zheng, W, Guilvout, I, Jollivet, C, Nilges, M, Egelman, E, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2018-06-20
Release date:2019-05-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
6WQ2
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BU of 6wq2 by Molmil
Cryo-EM of the S. islandicus filamentous virus, SIFV
Descriptor: A-DNA, Structural protein MCP1, Structural protein MCP2
Authors:Wang, F, Baquero, D.P, Su, Z, Zheng, W, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-04-28
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of filamentous viruses infecting hyperthermophilic archaea explain DNA stabilization in extreme environments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
5O2Y
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BU of 5o2y by Molmil
NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS
Descriptor: CALCIUM ION, General secretion pathway protein G
Authors:Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2017-05-23
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
9IK2
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BU of 9ik2 by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109
Descriptor: 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X.
Deposit date:2024-06-26
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities
To Be Published
6DVR
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BU of 6dvr by Molmil
Crystal structure of human CARM1 with (R)-SKI-72
Descriptor: (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2018-06-25
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of human CARM1 with (R)-SKI-72
to be published
2CB5
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BU of 2cb5 by Molmil
HUMAN BLEOMYCIN HYDROLASE, C73S/DELE455 MUTANT
Descriptor: PROTEIN (BLEOMYCIN HYDROLASE)
Authors:O'Farrell, P.A, Gonzalez, F, Zheng, W, Johnston, S.A, Joshua-Tor, L.
Deposit date:1999-03-02
Release date:2000-03-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human bleomycin hydrolase, a self-compartmentalizing cysteine protease.
Structure Fold.Des., 7, 1999
4WYB
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BU of 4wyb by Molmil
Structure of the Bud6 flank domain in complex with actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Eck, M.J, Park, E, Zheng, W.
Deposit date:2014-11-17
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:Structure of a Bud6/Actin Complex Reveals a Novel WH2-like Actin Monomer Recruitment Motif.
Structure, 23, 2015
5W5E
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BU of 5w5e by Molmil
Re-refinement of the pyocin tube structure
Descriptor: FIIR2 protein
Authors:Wang, F, Zheng, W, Taylor, N.M, Guerrero-Ferreira, R.C, Leiman, P.G, Egelman, E.H.
Deposit date:2017-06-15
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Refined Cryo-EM Structure of the T4 Tail Tube: Exploring the Lowest Dose Limit.
Structure, 25, 2017
1A6R
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BU of 1a6r by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A
Descriptor: GAL6, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
1CB5
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BU of 1cb5 by Molmil
HUMAN BLEOMYCIN HYDROLASE.
Descriptor: BLEOMYCIN HYDROLASE
Authors:O'Farrell, P.A, Gonzalez, F, Zheng, W, Johnston, S.A, Joshua-Tor, L.
Deposit date:1999-03-01
Release date:2000-03-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of human bleomycin hydrolase, a self-compartmentalizing cysteine protease.
Structure Fold.Des., 7, 1999
3D4B
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BU of 3d4b by Molmil
Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+
Descriptor: 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ...
Authors:Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
Deposit date:2008-05-14
Release date:2008-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
3D81
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BU of 3d81 by Molmil
Sir2-S-alkylamidate complex crystal structure
Descriptor: NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION
Authors:Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
Deposit date:2008-05-22
Release date:2008-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
3L1N
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BU of 3l1n by Molmil
Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid
Descriptor: Cell wall antigen, PALMITIC ACID
Authors:Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y.
Deposit date:2009-12-14
Release date:2010-01-05
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
3GCB
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BU of 3gcb by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A/DELTAK454
Descriptor: GAL6, GLYCEROL, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
4DQM
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BU of 4dqm by Molmil
Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
Descriptor: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
Deposit date:2012-02-16
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019

226707

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