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8OJO
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BU of 8ojo by Molmil
Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol
Descriptor: 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-03-24
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
7Q22
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BU of 7q22 by Molmil
cryo iDPC-STEM structure recorded with CSA 2.0
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-22
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q2Q
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BU of 7q2q by Molmil
cryo iDPC-STEM structure recorded with CSA 3.5
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-26
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q2S
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BU of 7q2s by Molmil
cryo iDPC-STEM structure recorded with CSA 4.5
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-26
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
8EK4
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BU of 8ek4 by Molmil
De novo designed ice-binding proteins from twist-constrained helices
Descriptor: Ice-binding protein TIP-99a
Authors:Bera, A.K, De Haas, R.J.
Deposit date:2022-09-19
Release date:2023-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:De novo designed ice-binding proteins from twist-constrained helices.
Proc.Natl.Acad.Sci.USA, 120, 2023
7Q23
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BU of 7q23 by Molmil
cryo iDPC-STEM structure recorded with CSA 3.0
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-22
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q2R
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BU of 7q2r by Molmil
cryo iDPC-STEM structure recorded with CSA 4.0
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-26
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7BML
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BU of 7bml by Molmil
Crystal structure of outer surface protein C (OspC) from Borrelia burgdorferi
Descriptor: Outer surface protein C
Authors:Sliwiak, J, Bierwagen, P, Ruszkowski, M, Jaskolski, M, Urbanowicz, A.
Deposit date:2021-01-20
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies of outer surface proteins (OspC) from different Borrelia strains
To Be Published
7BR5
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BU of 7br5 by Molmil
Lysozyme-sugar complex in H2O
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanaka, I, Chatake, T.
Deposit date:2020-03-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
7C03
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BU of 7c03 by Molmil
Crystal structure of POLArISact(T57S), genetically encoded probe for fluorescent polarization
Descriptor: POLArISact(T57S)
Authors:Tomabechi, Y, Sakai, N, Shirouzu, M.
Deposit date:2020-04-30
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:POLArIS, a versatile probe for molecular orientation, revealed actin filaments associated with microtubule asters in early embryos.
Proc.Natl.Acad.Sci.USA, 118, 2021
7PO7
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BU of 7po7 by Molmil
Phosphoglycolate phosphatase from Mus musculus
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schloetzer, J, Schindelin, H, Fratz, S.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7POE
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BU of 7poe by Molmil
Phosphoglycolate Phosphatase with Inhibitor CP1
Descriptor: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
Authors:Schloetzer, J, Fratz, S, Schindelin, H.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
Deposit date:2022-10-24
Release date:2023-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
Descriptor: k-cTRP5
Authors:Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
Deposit date:2022-10-17
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
8PPN
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BU of 8ppn by Molmil
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside at 1.8 resolution
Descriptor: 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-07-07
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
1KB5
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BU of 1kb5 by Molmil
MURINE T-CELL RECEPTOR VARIABLE DOMAIN/FAB COMPLEX
Descriptor: ANTIBODY DESIRE-1, KB5-C20 T-CELL ANTIGEN RECEPTOR
Authors:Housset, D, Mazza, G, Gregoire, C, Piras, C, Malissen, B, Fontecilla-Camps, J.C.
Deposit date:1997-04-06
Release date:1998-04-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The three-dimensional structure of a T-cell antigen receptor V alpha V beta heterodimer reveals a novel arrangement of the V beta domain.
EMBO J., 16, 1997
7Q5I
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BU of 7q5i by Molmil
A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.
Descriptor: 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
Authors:Neofytos, D.D, Chrysina, E.D.
Deposit date:2021-11-03
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
Authors:Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
Deposit date:2023-01-12
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGV
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BU of 7cgv by Molmil
Full consensus L-threonine 3-dehydrogenase, FcTDH-IIYM (NAD+ bound form)
Descriptor: Artificial L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Motoyama, T, Hiramatsu, N, Asano, Y, Nakano, S, Ito, S.
Deposit date:2020-07-02
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Protein Sequence Selection Method That Enables Full Consensus Design of Artificial l-Threonine 3-Dehydrogenases with Unique Enzymatic Properties.
Biochemistry, 59, 2020
7CND
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BU of 7cnd by Molmil
NCI-1 in complex with CRM1-Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-07-31
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
8GVM
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BU of 8gvm by Molmil
The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2022-09-15
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity
J. Biol. Chem., 293, 2018
8GFT
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BU of 8gft by Molmil
Hsp90 provides platform for CRaf dephosphorylation by PP5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ...
Authors:Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A.
Deposit date:2023-03-08
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
8QFW
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BU of 8qfw by Molmil
Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ...
Authors:Schindelin, H, Gohla, A.
Deposit date:2023-09-05
Release date:2024-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024

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數據於2024-10-16公開中

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