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6AV8
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BU of 6av8 by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: U5-theraphotoxin-Hs1b 1
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 (1.89 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
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
6ATL
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BU of 6atl by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: CITRIC ACID, Potassium channel toxin alpha-KTx 4.2, SULFATE ION
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 (1.8 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
7AZT
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BU of 7azt by Molmil
X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, RE11660p
Authors:Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S.
Deposit date:2020-11-17
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
7AYV
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BU of 7ayv by Molmil
X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ...
Authors:Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S.
Deposit date:2020-11-13
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
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
6T3L
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BU of 6t3l by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
Deposit date:2019-10-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
6T3U
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BU of 6t3u by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
Deposit date:2019-10-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
8C6C
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BU of 8c6c by Molmil
Light SFX structure of D.m(6-4)photolyase at 300ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C1U
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BU of 8c1u by Molmil
SFX structure of D.m(6-4)photolyase
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6H
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BU of 8c6h by Molmil
Light SFX structure of D.m(6-4)photolyase at 2ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C69
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BU of 8c69 by Molmil
Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6A
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BU of 8c6a by Molmil
Light SFX structure of D.m(6-4)photolyase at 1ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6B
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BU of 8c6b by Molmil
Light SFX structure of D.m(6-4)photolyase at 20ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6F
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BU of 8c6f by Molmil
Light SFX structure of D.m(6-4)photolyase at 400fs time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
5OFR
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BU of 5ofr by Molmil
Structure of the antibacterial peptide ABC transporter McjD in a high energy outward occluded intermediate state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, ...
Authors:Beis, K, Bountra, K.
Deposit date:2017-07-11
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
5OFP
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BU of 5ofp by Molmil
Structure of the antibacterial peptide ABC transporter McjD in an apo inward occluded conformation
Descriptor: Microcin-J25 export ATP-binding/permease protein McjD
Authors:Beis, K, Choudhury, H.G.
Deposit date:2017-07-11
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.71 Å)
Cite:Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
2RGU
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BU of 2rgu by Molmil
Crystal structure of complex of human DPP4 and inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4
Authors:Nar, H, Himmelsbach, F, Eckhardt, M.
Deposit date:2007-10-05
Release date:2007-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes.
J.Med.Chem., 50, 2007
2V7I
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BU of 2v7i by Molmil
PrnB native
Descriptor: PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2WES
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BU of 2wes by Molmil
Crystal structures of mutant E46Q of tryptophan 5-halogenase (PyrH)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN 5-HALOGENASE
Authors:Zhu, X, Naismith, J.H.
Deposit date:2009-04-01
Release date:2009-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights in the Regioselectivity in the Enzymatic Chlorination of Tryptophan.
J.Mol.Biol., 391, 2009

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