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6XP7
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BU of 6xp7 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XPU
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BU of 6xpu by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to IDP
Descriptor: INOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6YD9
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BU of 6yd9 by Molmil
Ecoli GyrB24 with inhibitor 16a
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
Authors:Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J.
Deposit date:2020-03-20
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6Y86
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BU of 6y86 by Molmil
Active YidC insertase crystal structure with the first transmembrane domain resolved
Descriptor: Membrane protein insertase YidC
Authors:Li, X.D, Nass, K.
Deposit date:2020-03-03
Release date:2021-09-22
Last modified:2022-04-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations.
Biochim Biophys Acta Biomembr, 1864, 2022
8CF4
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BU of 8cf4 by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-02
Release date:2023-03-08
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CHH
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BU of 8chh by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction method for spin-diffusion with PDB 2NUZ as reference
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CHG
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BU of 8chg by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction for dipolar truncation with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8DFZ
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BU of 8dfz by Molmil
NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bacteriocin glycocin F
Authors:Harjes, E, Edwards, P.J.B, Norris, G.
Deposit date:2022-06-23
Release date:2023-07-05
Last modified:2023-09-13
Method:SOLUTION NMR
Cite:NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F.
Biochemistry, 62, 2023
7A58
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BU of 7a58 by Molmil
NOE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Cantini, F, Trindade, I.
Deposit date:2020-08-20
Release date:2020-11-11
Last modified:2021-05-12
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
6ZMM
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BU of 6zmm by Molmil
Crystal structure of human NDRG1
Descriptor: CHLORIDE ION, Protein NDRG1
Authors:Mustonen, V, Kursula, P, Ruskamo, S.
Deposit date:2020-07-03
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal and solution structure of NDRG1, a membrane-binding protein linked to myelination and tumour suppression.
Febs J., 288, 2021
7A4L
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BU of 7a4l by Molmil
PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M.
Deposit date:2020-08-19
Release date:2020-11-11
Last modified:2021-05-12
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
5AES
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BU of 5aes by Molmil
Crystal Structure of murine Chronophin (Pyridoxal Phosphate Phosphatase) in Complex with a PNP-derived Inhibitor
Descriptor: GLYCEROL, MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE, ...
Authors:Knobloch, G, Jabari, N, Koehn, M, Gohla, A, Schindelin, H.
Deposit date:2015-01-09
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Synthesis of Hydrolysis-Resistant Pyridoxal 5'-Phosphate Analogs and Their Biochemical and X-Ray Crystallographic Characterization with the Pyridoxal Phosphatase Chronophin.
Bioorg.Med.Chem., 23, 2015
7M57
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BU of 7m57 by Molmil
Crystallographic structure of a primitive orthorhombic crystal form of STMV
Descriptor: Coat protein, PHOSPHATE ION, RNA (27-mer), ...
Authors:McPherson, A.
Deposit date:2021-03-22
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M50
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BU of 7m50 by Molmil
Crystallographic structure of a cubic crystal form of STMV grown from ammonium sulfate
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-22
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M2V
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BU of 7m2v by Molmil
Crystallographic Structure of the Rhombohedral Crystal Form of STMV Grown from Chloride
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-17
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M3T
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BU of 7m3t by Molmil
Crystallographic structure of a cubic crystal of STMV (80.7 degree rotation about 111) grown from chloride
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-19
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7AER
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BU of 7aer by Molmil
Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin
Descriptor: ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family
Authors:Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
Deposit date:2020-09-18
Release date:2020-12-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NOV
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BU of 6nov by Molmil
A Fab derived from ixekizumab
Descriptor: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
8U1E
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BU of 8u1e by Molmil
Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Sharma, S, Mehlman, S.T, Keedy, D.A.
Deposit date:2023-08-31
Release date:2023-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High-resolution double vision of the allosteric phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 80, 2024
5D2A
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BU of 5d2a by Molmil
Bifunctional dendrimers
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L.
Deposit date:2015-08-05
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers.
Chem Sci, 7, 2016
6NEE
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BU of 6nee by Molmil
Crystal structure of a reconstructed ancestor of Triosephosphate isomerase from eukaryotes
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Rodriguez-Romero, A, Schulte-Sasse, M, Fernandez-Velasco, D.A.
Deposit date:2018-12-17
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, thermodynamic and catalytic characterization of an ancestral triosephosphate isomerase reveal early evolutionary coupling between monomer association and function.
FEBS J., 286, 2019
6NKQ
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BU of 6nkq by Molmil
The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8
Descriptor: Beta-lactoglobulin, CALCIUM ION
Authors:McPherson, A.
Deposit date:2019-01-07
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of bovine beta-lactoglobulin in crystals grown at pH 3.8 exhibiting novel threefold twinning.
Acta Crystallogr.,Sect.F, 75, 2019
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019

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