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7LTD
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BU of 7ltd by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-19
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LTI
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BU of 7lti by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 2
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-19
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LTV
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BU of 7ltv by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LU0
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BU of 7lu0 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LU1
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BU of 7lu1 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LU2
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BU of 7lu2 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
8E0R
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BU of 8e0r by Molmil
Crystal structure of mouse APCDD1 in P21 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein APCDD1
Authors:Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J.
Deposit date:2022-08-09
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
7LU3
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BU of 7lu3 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LYX
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BU of 7lyx by Molmil
Crystal structure of human CYP8B1 in complex with (S)-tioconazole
Descriptor: (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ...
Authors:Liu, J, Scott, E.E.
Deposit date:2021-03-08
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
7LCR
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BU of 7lcr by Molmil
Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability
Descriptor: 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
Deposit date:2021-01-11
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies.
Eur.J.Med.Chem., 222, 2021
7LZQ
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BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
Descriptor: B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-10
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7M1I
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BU of 7m1i by Molmil
Crystal structure of dehaloperoxidase B in complex with 2,6-dichlorophenol
Descriptor: 2,6-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2021-03-13
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
J.Inorg.Biochem., 236, 2022
7LHC
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BU of 7lhc by Molmil
NMR Solution Structure of [T20K]kalata B1
Descriptor: Kalata-B1
Authors:Harvey, P.J, Craik, D.J, Gruber, C.W.
Deposit date:2021-01-22
Release date:2021-10-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Importance of the Cyclic Cystine Knot Structural Motif for Immunosuppressive Effects of Cyclotides.
Acs Chem.Biol., 16, 2021
7LU8
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BU of 7lu8 by Molmil
Structure of the cryptic HMA domain of the human copper transporter ATP7A
Descriptor: Copper-transporting ATPase 1
Authors:Lee, W, Uhlemann, E.E, Tonelli, M, Dmitriev, O.Y.
Deposit date:2021-02-21
Release date:2021-09-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:At sixes and sevens: cryptic domain in the metal binding chain of the human copper transporter ATP7A.
Biophys.J., 120, 2021
7LGL
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BU of 7lgl by Molmil
Structural characterization of two b-KTx scorpion toxins. One of them blocks human KCNQ1 potassium channels
Descriptor: Potassium channel toxin TcoKIK
Authors:del Rio-Portilla, F, Lopez-Giraldo, A.E.
Deposit date:2021-01-20
Release date:2021-12-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:b-KTx scorpion toxin blocks human KCNQ1 potassium channels
To Be Published
7LI2
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BU of 7li2 by Molmil
Omega ester peptide pre-fuscimiditide
Descriptor: Pre-fuscimiditide peptide
Authors:Link, A.J, Elashal, H.E.
Deposit date:2021-01-26
Release date:2022-02-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide.
Nat.Chem., 14, 2022
7LNS
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BU of 7lns by Molmil
NMR solution structure of PsDef2 defensin from P. sylvestris
Descriptor: Defensin-2
Authors:Nesmelova, I.V, Kovaleva, V, Hrunyk, N.I, Yusypovych, Y.M, Shalovylo, Y.I.
Deposit date:2021-02-08
Release date:2022-03-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, dynamics, and function of PsDef2 defensin from Pinus sylvestris.
Structure, 30, 2022
7LHQ
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BU of 7lhq by Molmil
Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0
Descriptor: Non-structural protein 7
Authors:Lee, Y, Tonelli, M, Anderson, T.K, Kirchdoerfer, R.N, Henzler-Wildman, K, Lee, W.
Deposit date:2021-01-26
Release date:2022-02-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7
Biorxiv, 2021
7LOI
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BU of 7loi by Molmil
Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail
Descriptor: Transmembrane protein gp41
Authors:Piai, A, Fu, Q, Sharp, A.K, Bighi, B, Brown, A.M, Chou, J.J.
Deposit date:2021-02-10
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Model of the Entire Membrane-Interacting Region of the HIV-1 Fusion Protein and Its Perturbation of Membrane Morphology.
J.Am.Chem.Soc., 143, 2021
7M0G
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BU of 7m0g by Molmil
Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments
Descriptor: Cofilin-2
Authors:Kraus, J, Polenova, T, Perilla, J.P, Xu, C.
Deposit date:2021-03-10
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
7M1D
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BU of 7m1d by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Descriptor: Scorpine
Authors:del Rio-Portilla, F, Lopez-Giraldo, A.E.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
7LP4
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BU of 7lp4 by Molmil
Structure of Nedd4L WW3 domain
Descriptor: E3 ubiquitin-protein ligase NEDD4-like
Authors:Alam, S.L, Alian, A, Thompson, T, Rheinemann, L, Volkman, B.F, Peterson, F.C, Sundquist, W.I.
Deposit date:2021-02-11
Release date:2021-07-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
7LVG
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BU of 7lvg by Molmil
Jug r 2 Leader Sequence Residues 69-111
Descriptor: Vicilin Jug r 2.0101
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2021-02-25
Release date:2022-02-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
7LVF
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BU of 7lvf by Molmil
Jug R 2 Leader Sequence Residues 1-57
Descriptor: Vicilin Jug r 2.0101
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2021-02-25
Release date:2022-02-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
7LIF
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BU of 7lif by Molmil
Aspartimidylated omega ester peptide fuscimiditide
Descriptor: Fuscimiditide peptide
Authors:Link, A.J, Elashal, H.E.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide.
Nat.Chem., 14, 2022

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