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8TM3
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BU of 8tm3 by Molmil
Human proteasome alpha ring assembly intermediate
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome assembly chaperone 3, ...
Authors:Zhang, H, Zhao, J.
Deposit date:2023-07-28
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of human 20S proteasome biogenesis.
Nat Commun, 15, 2024
8TM6
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BU of 8tm6 by Molmil
Human premature 20S proteasome assembly intermediate
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Zhang, H, Zhao, J.
Deposit date:2023-07-28
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of human 20S proteasome biogenesis.
Nat Commun, 15, 2024
7YHD
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BU of 7yhd by Molmil
Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHB
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BU of 7yhb by Molmil
Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
Descriptor: Beta-lactamase class B VIM-2, ZINC ION, [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YH9
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BU of 7yh9 by Molmil
Crystal structure of IMP-1 MBL in complex with 3-(4-benzyl-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B IMP-1, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHC
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BU of 7yhc by Molmil
Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHA
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BU of 7yha by Molmil
Crystal structure of IMP-1 MBL in complex with (3-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
Descriptor: Beta-lactamase class B IMP-1, ZINC ION, [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YWA
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BU of 7ywa by Molmil
Structure of DinI in complex with RecA filament
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), DNA damage-inducible protein I, MAGNESIUM ION, ...
Authors:Gao, B, Feng, Y.
Deposit date:2022-08-22
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for regulation of SOS response in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
7JY9
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BU of 7jy9 by Molmil
Structure of a 9 base pair RecA-D loop complex
Descriptor: DNA (27-MER), DNA (42-MER), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2020-08-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
7JY7
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BU of 7jy7 by Molmil
Structure of a 12 base pair RecA-D loop complex
Descriptor: DNA (27-MER), DNA (48-MER), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2020-08-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
7JY6
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BU of 7jy6 by Molmil
Analysis of a strand exchange reaction with a mini filament of 9-RecA, oligo(dT)27 primary ssDNA, non-homologous 120 bp dsDNA and ATPgammaS
Descriptor: DNA (27-MER), DNA (45-MER), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2020-08-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
7JY8
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BU of 7jy8 by Molmil
Analysis of a strand exchange reaction with a mini filament of 9-RecA, 27-mer ssDNA, partially-homologous 67 bp dsDNA and ATPgammaS
Descriptor: DNA (27-MER), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2020-08-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
6ERE
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BU of 6ere by Molmil
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3
Descriptor: Immunity, PHOSPHATE ION, colicin
Authors:Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J.
Deposit date:2017-10-18
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6FAY
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BU of 6fay by Molmil
Teneurin3 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Odz3 protein
Authors:Janssen, B.J.C, Meijer, D.H.M, van Bezouwen, L.S.
Deposit date:2017-12-18
Release date:2018-03-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of Teneurin adhesion receptors reveal an ancient fold for cell-cell interaction.
Nat Commun, 9, 2018
6FB3
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BU of 6fb3 by Molmil
Teneurin 2 Partial Extracellular Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, ...
Authors:Jackson, V.A, Carrasquero, M, Lowe, E.D, Seiradake, E.
Deposit date:2017-12-18
Release date:2018-03-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of Teneurin adhesion receptors reveal an ancient fold for cell-cell interaction.
Nat Commun, 9, 2018
8CVT
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BU of 8cvt by Molmil
Human 19S-20S proteasome, state SD2
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 8, 26S proteasome complex subunit SEM1, ...
Authors:Zhao, J.
Deposit date:2022-05-18
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CVR
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BU of 8cvr by Molmil
Human 20S proteasome with MG-132
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Zhao, J.
Deposit date:2022-05-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CVS
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BU of 8cvs by Molmil
Human PA200-20S proteasome with MG-132
Descriptor: INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ...
Authors:Zhao, J.
Deposit date:2022-05-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CXB
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BU of 8cxb by Molmil
Human PA28-20S (PA28-4a3b)
Descriptor: Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ...
Authors:Zhao, J, Makhija, S, Huang, B, Cheng, Y.
Deposit date:2022-05-20
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5JCB
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BU of 5jcb by Molmil
Microtubule depolymerizing agent podophyllotoxin derivative YJTSF1
Descriptor: (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Guan, Z, Zhao, W, Yin, P.
Deposit date:2016-04-14
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4 beta-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.
ACS Chem. Biol., 12, 2017
5MCB
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BU of 5mcb by Molmil
Glycogen phosphorylase in complex with chlorogenic acid.
Descriptor: Chlorogenic acid, Glycogen phosphorylase, muscle form, ...
Authors:Leonidas, D.D, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Kantsadi, A.L.
Deposit date:2016-11-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Affinity Crystallography Reveals the Bioactive Compounds of Industrial Juicing Byproducts of Punica granatum for Glycogen Phosphorylase.
Curr Drug Discov Technol, 15, 2018
5MWG
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BU of 5mwg by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ091
Descriptor: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-01-18
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5MWZ
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BU of 5mwz by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ073
Descriptor: Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-01-20
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018

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