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7WQT
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BU of 7wqt by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7ML7
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BU of 7ml7 by Molmil
Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
Descriptor: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
Authors:Chen, P, Jin, R.
Deposit date:2021-04-27
Release date:2021-06-09
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
6U08
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BU of 6u08 by Molmil
Double-stranded DNA-specific cytidine deaminase type VI secretion system effector and cognate immunity complex from Burkholderia cenocepacia
Descriptor: DddI, Double-stranded DNA-specific cytidine deaminase, ZINC ION
Authors:Bosch, D.E, de Moraes, M.M.H, Mougous, J.D.
Deposit date:2019-08-13
Release date:2020-07-15
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:A bacterial cytidine deaminase toxin enables CRISPR-free mitochondrial base editing.
Nature, 583, 2020
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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BU of 7qjg by Molmil
EED in complex with PRC2 allosteric inhibitor compound 6
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-16
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
6S53
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BU of 6s53 by Molmil
Crystal structure of TRIM21 RING domain in complex with an isopeptide-linked Ube2N~ubiquitin conjugate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ...
Authors:Kiss, L, Boland, A, Neuhaus, D, James, L.C.
Deposit date:2019-06-30
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases.
Nat Commun, 10, 2019
8IYD
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BU of 8iyd by Molmil
Tail cap of phage lambda tail
Descriptor: Tail tube protein, Tail tube terminator protein
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
8IYK
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BU of 8iyk by Molmil
Tail tip conformation 1 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
8IYL
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BU of 8iyl by Molmil
Tail tip conformation 2 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
7X28
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BU of 7x28 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab)
Descriptor: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
Authors:Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W.
Deposit date:2022-02-25
Release date:2023-01-18
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
Descriptor: Tri-Ketone Dioxygenase
Authors:Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
Deposit date:2022-10-17
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
7XTG
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BU of 7xtg by Molmil
Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1
Descriptor: Bacteriocin curvacin-A, Mannose permease IIC component, Mannose permease IID component, ...
Authors:Zeng, J.W, Wang, J.W, Zhu, L.Y.
Deposit date:2022-05-17
Release date:2023-06-07
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural Basis of the Immunity Mechanisms of Pediocin-like Bacteriocins.
Appl.Environ.Microbiol., 88, 2022
7X8X
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BU of 7x8x by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
Descriptor: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
Authors:Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
Deposit date:2022-03-15
Release date:2023-04-12
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
Descriptor: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
7X27
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BU of 7x27 by Molmil
MERS-CoV spike complex
Descriptor: Spike glycoprotein
Authors:Zeng, J.W, Zhang, S.Y, Wang, X.W.
Deposit date:2022-02-25
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:cryo-EM structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein
To Be Published
8XRP
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BU of 8xrp by Molmil
The Cryo-EM structure of IL-12, receptor subunit beta-1 and receptor subunit beta-2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, Interleukin-12 receptor subunit beta-2, ...
Authors:Chen, H.Q, Wang, X.Q, Ge, X.F, Zeng, J.W, Wang, J.W.
Deposit date:2024-01-07
Release date:2024-07-24
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure and assembly of the human IL-12 signaling complex.
Structure, 2024
6K1H
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BU of 6k1h by Molmil
Structure of membrane protein
Descriptor: PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose
Authors:Wang, J.W, Zeng, J.W.
Deposit date:2019-05-10
Release date:2019-07-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
7S0Y
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BU of 7s0y by Molmil
Structures of TcdB in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zheng, L, Rongsheng, J, Peng, C.
Deposit date:2021-08-31
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
7S0Z
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BU of 7s0z by Molmil
Structures of TcdB in complex with R-Ras
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
Authors:Zheng, L, Rongsheng, J, Peng, C.
Deposit date:2021-08-31
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-03
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020

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