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7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
7SDP
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Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-09-29
公開日2021-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-01
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-02
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7T89
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BU of 7t89 by Molmil
Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706
分子名称: DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
著者Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W.
登録日2021-12-16
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
8AR9
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BU of 8ar9 by Molmil
Crystal to structure pipeline for ambient temperature, in situ crystallography at beamline VMXi
分子名称: Nuclear receptor coactivator 7
著者Campeotto, I, Foster, T.
登録日2022-08-15
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-06-29
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
8B0W
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BU of 8b0w by Molmil
Galectin-1 in Complex with Ligand MG49
分子名称: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
著者Grimm, C, Mut, J, Seibel, J.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-1 in Complex with Ligand MG49
To Be Published
7K6E
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BU of 7k6e by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
8DTA
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BU of 8dta by Molmil
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
著者Rosenbaum, J.C, Carlson, A.E.
登録日2022-07-25
公開日2023-07-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Glutathione modulates metal binding to proteins.
TBD
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
分子名称: SULFATE ION, Secreted in xylem Six8
著者Yu, D.S, Ericsson, D.J, Williams, S.J.
登録日2022-08-30
公開日2023-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
分子名称: D(-)-TARTARIC ACID, Secreted in xylem Six6
著者Yu, D.S, Ericsson, D.J, Williams, S.J.
登録日2022-08-30
公開日2023-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8F43
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BU of 8f43 by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant
分子名称: CRISPR-associated endonuclease Cas9
著者D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
登録日2022-11-10
公開日2022-12-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022
7KWO
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BU of 7kwo by Molmil
rFVIIIFc-VWF-XTEN (BIVV001)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
著者Fuller, J.R, Batchelor, J.D.
登録日2020-12-01
公開日2021-03-03
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
分子名称: AZIDE ION, All4481 protein
著者Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
登録日2022-09-12
公開日2023-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH219
著者Simard, A.R, Madden, D.R.
登録日2022-09-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Ortmayer, M, Levy, C.
登録日2022-12-29
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
8EGY
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BU of 8egy by Molmil
Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH108
著者Simard, A.R, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH113
著者Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
分子名称: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
著者D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
登録日2022-06-13
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
分子名称: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
分子名称: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
1T96
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BU of 1t96 by Molmil
r106g kdo8ps with pep
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
著者Gatti, D.L.
登録日2004-05-14
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published

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件を2024-10-09に公開中

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