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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
6IER
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BU of 6ier by Molmil
Apo structure of a beta-glucosidase 1317
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, beta-glucosidase 1317
Authors:Xie, W, Liu, X.
Deposit date:2018-09-16
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Improving the cellobiose-hydrolysis activity and glucose-tolerance of a thermostable beta-glucosidase through rational design.
Int.J.Biol.Macromol., 136, 2019
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
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
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
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
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
Descriptor: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-06
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
1NLJ
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BU of 1nlj by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
Descriptor: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-07
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
5OLM
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BU of 5olm by Molmil
TRIM21
Descriptor: E3 ubiquitin-protein ligase TRIM21, ZINC ION
Authors:James, L.C.
Deposit date:2017-07-28
Release date:2018-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Intracellular antibody signalling is regulated by phosphorylation of the Fc receptor TRIM21.
Elife, 7, 2018
6NKO
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BU of 6nko by Molmil
Crystal structure of ForH
Descriptor: ForH
Authors:Zheng, J, Irani, S, Zhang, Y.
Deposit date:2019-01-07
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis.
J. Am. Chem. Soc., 141, 2019
7X2A
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BU of 7x2a by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab)
Descriptor: MERS-CoV 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:2022-11-09
Last modified:2022-11-23
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
7X26
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BU of 7x26 by Molmil
S41 neutralizing antibody Fab(MERS-CoV)
Descriptor: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
Authors:Zeng, J.W, Zhang, S.Y, Wang, X.W.
Deposit date:2022-02-25
Release date:2022-11-09
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.685 Å)
Cite:Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7X29
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BU of 7x29 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d 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:2022-11-09
Last modified:2022-11-23
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
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
7JTU
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BU of 7jtu by Molmil
Cytidine deaminase T6S toxin from Pseudomonas syringae
Descriptor: SsdA, SsdAI
Authors:Bosch, D.E, Hsu, F, de Moraes, M.H, Mougous, J.D.
Deposit date:2020-08-18
Release date:2021-03-31
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:An interbacterial DNA deaminase toxin directly mutagenizes surviving target populations.
Elife, 10, 2021
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
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
Descriptor: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
8OU0
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BU of 8ou0 by Molmil
bovine sperm endpiece singlet microtubules (one tubulin dimer and associated microtubule inner proteins)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Leung, M.R, Zeev-Ben-Mordehai, T.
Deposit date:2023-04-21
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural specializations of the sperm tail.
Cell, 186, 2023
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
Descriptor: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
Descriptor: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
Descriptor: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5OIP
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BU of 5oip by Molmil
InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea
Descriptor: 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018

221716

数据于2024-06-26公开中

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