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6YBJ
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BU of 6ybj by Molmil
Structure of MBP-Mcl-1 in complex with compound 3e
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
1SEN
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BU of 1sen by Molmil
Endoplasmic reticulum protein Rp19 O95881
Descriptor: CHLORIDE ION, PLATINUM (II) ION, Thioredoxin-like protein p19
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Lee, D, Dailey, T.A, Mayer, M.R, Rose, J.P, Richardson, D.C, Richardson, J.S, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-17
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Endoplasmic reticulum protein Rp19
To be Published
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6YPN
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BU of 6ypn by Molmil
Crystal Structure of CK2alpha with 2 molecules of ADP bound
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6GYP
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BU of 6gyp by Molmil
Cryo-EM structure of the CBF3-core-Ndc10-DBD complex of the budding yeast kinetochore
Descriptor: ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ...
Authors:Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2018-07-01
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
7NSU
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BU of 7nsu by Molmil
ColicinE9 intact translocation complex
Descriptor: Colicin-E9, Outer membrane protein F, Tol-Pal system protein TolB, ...
Authors:Webby, M.N, Kleanthous, C, Lukoyanova, N, Housden, N.G.
Deposit date:2021-03-08
Release date:2021-08-11
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Porin threading drives receptor disengagement and establishes active colicin transport through Escherichia coli OmpF.
Embo J., 40, 2021
7NST
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BU of 7nst by Molmil
ColicinE9 partial translocation complex
Descriptor: Colicin-E9, Outer membrane protein F, Tol-Pal system protein TolB
Authors:Webby, M.N, Kleanthous, C, Lukoyanova, N, Housden, N.G.
Deposit date:2021-03-08
Release date:2021-08-11
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Porin threading drives receptor disengagement and establishes active colicin transport through Escherichia coli OmpF.
Embo J., 40, 2021
6UP2
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BU of 6up2 by Molmil
Crystal structure of the murine DHX36 helicase
Descriptor: CHLORIDE ION, Dhx36 protein, GLYCEROL
Authors:Chuenchor, W, Jiang, J, Xiao, T.S.
Deposit date:2019-10-16
Release date:2020-10-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of the murine DHX36 helicase
To be published
6YBG
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BU of 6ybg by Molmil
Structure of Mcl-1 in complex with compound 2g
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
6P4B
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BU of 6p4b by Molmil
HyHEL10 fab variant HyHEL10-4x (heavy chain mutations L4F, Y33H, S56N, and Y58F) bound to hen egg lysozyme variant HEL2x-flex (mutations R21Q, R73E, C76S, and C94S)
Descriptor: CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
7SOH
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BU of 7soh by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Chlorotoxin
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-30
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat Struct Mol Biol, 25, 2018
7OI8
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BU of 7oi8 by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3A
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7OID
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BU of 7oid by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 5A
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7TEA
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BU of 7tea by Molmil
Crystal structure of S. aureus GlnR-DNA complex
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*AP*AP*TP*CP*TP*GP*AP*CP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*TP*AP*TP*CP*TP*GP*AP*CP*AP*CP*G)-3'), ...
Authors:Schumacher, M.A.
Deposit date:2022-01-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
7TEC
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BU of 7tec by Molmil
Structure of the Listeria monocytogenes GlnR-DNA complex to 3.45 Angstrom
Descriptor: DNA (5'-D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*AP*AP*TP*CP*TP*GP*AP*CP*AP*CP*G)-3'), HTH-type transcriptional regulator GlnR
Authors:Schumacher, M.A, Brennan, R.G.
Deposit date:2022-01-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
7O3C
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BU of 7o3c by Molmil
Murine supercomplex CIII2CIV in the mature unlocked conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O3E
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BU of 7o3e by Molmil
Murine supercomplex CIII2CIV in the intermediate locked conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O3H
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BU of 7o3h by Molmil
Murine CIII2 focus-refined from supercomplex CICIII2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
6PAE
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BU of 6pae by Molmil
Dickeya chrysanthemi complex with L-Asp at pH 5.6
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6P1B
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BU of 6p1b by Molmil
Transcription antitermination factor Q21
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Q protein
Authors:Yin, Z, Ebright, R.H.
Deposit date:2019-05-19
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
6YCG
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BU of 6ycg by Molmil
Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor
Descriptor: CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6URC
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BU of 6urc by Molmil
Crystal structure of IRE1a in complex with compound 18
Descriptor: 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H.H, Wang, W.
Deposit date:2019-10-23
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Descriptor: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6J99
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BU of 6j99 by Molmil
Cryo-EM structure of human DOT1L in complex with an H2B-monoubiquitinated nucleosome
Descriptor: DNA (144-MER), DNA (145-MER), Histone H2A, ...
Authors:Yao, T, Huang, J.
Deposit date:2019-01-22
Release date:2019-02-27
Last modified:2019-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of the crosstalk between histone H2B monoubiquitination and H3 lysine 79 methylation on nucleosome.
Cell Res., 29, 2019
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019

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