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6RY9
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BU of 6ry9 by Molmil
Winter flounder 1a-1 in SDS micelles
Descriptor: Pleurocidin-like prepropolypeptide
Authors:Clarke, M, Mason, A.J.
Deposit date:2019-06-10
Release date:2020-07-15
Method:SOLUTION NMR
Cite:Winter flounder 1a-1 in SDS micelles
To Be Published
6S2D
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BU of 6s2d by Molmil
Winter flounder 1 in SDS micelles
Descriptor: Pleurocidin-like prepropolypeptide
Authors:Clarke, M, Mason, A.J.
Deposit date:2019-06-20
Release date:2020-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Winter flounder 1 in SDS micelles
To Be Published
8C65
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BU of 8c65 by Molmil
Crystal structure of cutinase AdCut from Acidovorax delafieldii (PBS depolymerase)
Descriptor: PBS(A) depolymerase
Authors:Zahn, M, Clark, M.
Deposit date:2023-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Predictions of the substrate specificities of the plastic-degrading enzymes IsPETase and AdCut
To Be Published
6RZC
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BU of 6rzc by Molmil
Winter flounder 4 in SDS micelles
Descriptor: Pleurocidin-like peptide WF4
Authors:Mason, A.J, Clarke, M.
Deposit date:2019-06-13
Release date:2020-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Winter flounder 4 in SDS micelles
To Be Published
6RYQ
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BU of 6ryq by Molmil
Winter flounder 1a in SDS micelles
Descriptor: Pleurocidin-like prepropolypeptide
Authors:Mason, A.J, Clarke, M.
Deposit date:2019-06-11
Release date:2020-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Winter flounder 1a in SDS micelles
To Be Published
7ABK
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BU of 7abk by Molmil
Helical structure of PspA
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Huber, S.T, Mann, D, Heidler, T, Clarke, M, Schneider, D, Sachse, C.
Deposit date:2020-09-07
Release date:2021-08-04
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:PspA adopts an ESCRT-III-like fold and remodels bacterial membranes.
Cell, 184, 2021
6EHM
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BU of 6ehm by Molmil
Model of the Ebola virus nucleocapsid subunit from recombinant virus-like particles
Descriptor: Membrane-associated protein VP24, Nucleoprotein
Authors:Wan, W, Kolesnikova, L, Clarke, M, Koehler, A, Noda, T, Becker, S, Briggs, J.A.G.
Deposit date:2017-09-13
Release date:2017-11-08
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structure and assembly of the Ebola virus nucleocapsid.
Nature, 551, 2017
6EHL
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BU of 6ehl by Molmil
Model of the Ebola virus nucleoprotein in recombinant nucleocapsid-like assemblies
Descriptor: Nucleoprotein
Authors:Wan, W, Kolesnikova, L, Clarke, M, Koehler, A, Noda, T, Becker, S, Briggs, J.A.G.
Deposit date:2017-09-13
Release date:2017-11-08
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structure and assembly of the Ebola virus nucleocapsid.
Nature, 551, 2017
1DYL
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BU of 1dyl by Molmil
9 ANGSTROM RESOLUTION CRYO-EM RECONSTRUCTION STRUCTURE OF SEMLIKI FOREST VIRUS (SFV) AND FITTING OF THE CAPSID PROTEIN STRUCTURE IN THE EM DENSITY
Descriptor: NUCLEOCAPSID PROTEIN
Authors:Mancini, E.J, Clarke, M, Gowen, B.E, Rutten, T, Fuller, S.D.
Deposit date:2000-02-02
Release date:2000-08-18
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cryo-Electron Microscopy Reveals the Functional Organization of an Enveloped Virus, Semliki Forest Virus.
Mol.Cell, 5, 2000
6RZ1
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BU of 6rz1 by Molmil
Winter flounder 3 in SDS micelles
Descriptor: Pleurocidin-like peptide WF3
Authors:Mason, A.J, Clarke, M.
Deposit date:2019-06-12
Release date:2020-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of winter flounder AMP 3
To Be Published
7ZF1
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BU of 7zf1 by Molmil
Structure of ubiquitinated FANCI in complex with FANCD2 and double-stranded DNA
Descriptor: DNA (61-MER), Fanconi anemia group D2 protein, Fanconi anemia group I protein, ...
Authors:Lemonidis, K, Rennie, M.L, Arkinson, C, Streetley, J, Clarke, M, Chaugule, V.K, Walden, H.
Deposit date:2022-03-31
Release date:2022-11-16
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structural and biochemical basis of interdependent FANCI-FANCD2 ubiquitination.
Embo J., 42, 2023
8CXC
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BU of 8cxc by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-20
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.31 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8CZ8
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BU of 8cz8 by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: Mesothelin, cleaved form, SULFATE ION, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8CYH
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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
2N2H
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BU of 2n2h by Molmil
Solution structure of Sds3 in complex with Sin3A
Descriptor: Paired amphipathic helix protein Sin3a, Sin3 histone deacetylase corepressor complex component SDS3
Authors:Clark, M, Radhakrishnan, I.
Deposit date:2015-05-08
Release date:2015-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
Authors:Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
Deposit date:2019-03-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
7AW0
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BU of 7aw0 by Molmil
MerTK kinase domain in complex with purine inhibitor
Descriptor: 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
5OTE
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BU of 5ote by Molmil
MRCK beta in complex with BDP-00008900
Descriptor: 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2017-08-21
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
5OTF
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BU of 5otf by Molmil
MRCK beta in complex with BDP-00009066
Descriptor: (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2017-08-21
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
7BU7
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BU of 7bu7 by Molmil
Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BVQ
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BU of 7bvq by Molmil
Structure of human beta1 adrenergic receptor bound to carazolol
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BU6
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BU of 7bu6 by Molmil
Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BTS
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BU of 7bts by Molmil
Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-02
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
6RSG
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BU of 6rsg by Molmil
NMR structure of pleurocidin VA in SDS micelles
Descriptor: Pleurocidin
Authors:Manzo, G, Mason, A.J.
Deposit date:2019-05-21
Release date:2020-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
6RSF
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BU of 6rsf by Molmil
NMR structure of pleurocidin KR in SDS micelles
Descriptor: Pleurocidin
Authors:Manzo, G, Mason, A.J.
Deposit date:2019-05-21
Release date:2020-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020

 

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