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8AIS
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BU of 8ais by Molmil
Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis
Descriptor: ACETATE ION, Lipase 1
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIT
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BU of 8ait by Molmil
Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis
Descriptor: Cutinase, SULFATE ION
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIR
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BU of 8air by Molmil
Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus
Descriptor: ACETATE ION, RgCutII
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
6AYZ
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BU of 6ayz by Molmil
Crystal structure of Asf1-Fab 12E complex
Descriptor: Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1
Authors:Bailey, L.J, Kossiakoff, A.A.
Deposit date:2017-09-08
Release date:2018-01-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
6AZ2
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BU of 6az2 by Molmil
Crystal structure of Asf1-Fab 12E complex
Descriptor: Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1
Authors:Bailey, L.J, Kossiakoff, A.A.
Deposit date:2017-09-09
Release date:2018-01-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.477 Å)
Cite:Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Descriptor: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2012-04-13
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
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
7SND
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BU of 7snd by Molmil
Pacifastin related protease inhibitors
Descriptor: GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7SNC
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BU of 7snc by Molmil
Pacifastin related protease inhibitors
Descriptor: Protease inhibitor
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
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
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:2024-06-19
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
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:2024-06-19
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
7JZT
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BU of 7jzt by Molmil
Low resolution crystal structure of Zaire Ebola virus VP40 in space group P6422
Descriptor: Matrix protein VP40
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
Descriptor: Matrix protein VP40, PENTAETHYLENE GLYCOL
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
6AU7
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BU of 6au7 by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-30
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6ATW
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BU of 6atw by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Chlorotoxin
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVA
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BU of 6ava by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Insectotoxin-I1
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6ATN
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BU of 6atn by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 4.5
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVD
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BU of 6avd by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 6.9, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVC
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BU of 6avc by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 1.5
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AUP
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BU of 6aup by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018

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