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6TJC
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BU of 6tjc by Molmil
Crystal structure of the computationally designed Cake3 protein
分子名称: Cake3, GLYCEROL, PHOSPHATE ION
著者Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H.
登録日2019-11-26
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
5LSH
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BU of 5lsh by Molmil
human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C.
登録日2016-08-26
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.061 Å)
主引用文献Lysozyme's lectin-like characteristics facilitates its immune defense function.
Q. Rev. Biophys., 50, 2017
7LY3
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BU of 7ly3 by Molmil
Crystal structure of SARS-CoV-2 S NTD bound to S2M28 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain, S2M28 Fab Light Chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
6VVW
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BU of 6vvw by Molmil
W0 fused 4-OT wild type symmetric trimer
分子名称: Tautomerase
著者Medellin, B.P, Whitman, C.P, Zhang, Y.J.
登録日2020-02-18
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Asymmetry of a 4-Oxalocrotonate Tautomerase Trimer.
Biochemistry, 59, 2020
6G3T
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BU of 6g3t by Molmil
X-ray structure of NSD3-PWWP1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-26
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
8AYN
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BU of 8ayn by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand LY3130481
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one, ...
著者Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.H.
登録日2022-09-02
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
4YBB
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BU of 4ybb by Molmil
High-resolution structure of the Escherichia coli ribosome
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
著者Noeske, J, Wasserman, M.R, Terry, D.S, Altman, R.B, Blanchard, S.C, Cate, J.H.D.
登録日2015-02-18
公開日2015-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution structure of the Escherichia coli ribosome.
Nat.Struct.Mol.Biol., 22, 2015
7TL7
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BU of 7tl7 by Molmil
1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2)
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ...
著者Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
6UN8
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BU of 6un8 by Molmil
Wild type ANT bound to neomycin
分子名称: Aminoglycoside NucleotidylTransferase, MAGNESIUM ION, NEOMYCIN
著者Cuneo, M.J, Selvaraj, B.
登録日2019-10-11
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献"Catch and Release": a Variation of the Archetypal NucleotidylTransfer Reaction
ACS Catal, 10, 2020
6NMZ
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BU of 6nmz by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-14
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
To Be Published
1CA7
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BU of 1ca7 by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXPHENYLPYRUVATE
分子名称: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR)
著者Lubetsky, J.B, Lolis, E.
登録日1999-02-25
公開日1999-06-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pro-1 of macrophage migration inhibitory factor functions as a catalytic base in the phenylpyruvate tautomerase activity.
Biochemistry, 38, 1999
8GWW
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BU of 8gww by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
分子名称: 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Luo, Y, Zhu, J, Yu, K, Liu, B.
登録日2022-09-17
公開日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
1CAG
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BU of 1cag by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF A COLLAGEN-LIKE PEPTIDE AT 1.9 ANGSTROM RESOLUTION
分子名称: ACETIC ACID, COLLAGEN-LIKE PEPTIDE
著者Bella, J, Eaton, M, Brodsky, B, Berman, H.M.
登録日1994-03-29
公開日1994-11-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal and molecular structure of a collagen-like peptide at 1.9 A resolution.
Science, 266, 1994
6GES
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BU of 6ges by Molmil
Crystal structure of ERK1 covalently bound to SM1-71
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ...
著者Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-04-27
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
7KC1
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BU of 7kc1 by Molmil
Cryo-EM structure of SRR2899884.46167H+MEDI8852L fab in complex with Victoria HA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Gorman, J, Kwong, P.D.
登録日2020-10-04
公開日2021-05-12
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Sequence-Signature Optimization Enables Improved Identification of Human HV6-1-Derived Class Antibodies That Neutralize Diverse Influenza A Viruses.
Front Immunol, 12, 2021
1K9M
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BU of 1k9m by Molmil
Co-crystal structure of tylosin bound to the 50S ribosomal subunit of Haloarcula marismortui
分子名称: 23S RRNA, 5S RRNA, CADMIUM ION, ...
著者Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A.
登録日2001-10-29
公開日2002-07-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
6MZL
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BU of 6mzl by Molmil
Human TFIID canonical state
分子名称: TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ...
著者Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E.
登録日2018-11-05
公開日2018-11-28
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Structure of human TFIID and mechanism of TBP loading onto promoter DNA.
Science, 362, 2018
8CP3
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BU of 8cp3 by Molmil
Apo-LarE in complex with AMP-PNP
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, NAD_synthase domain-containing protein, ...
著者Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
8G5T
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BU of 8g5t by Molmil
Crystal structure of apo TnmK2
分子名称: TnmK2
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G63
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BU of 8g63 by Molmil
Ralimetinib (LY2228820) in complex with wild type EGFR
分子名称: Epidermal growth factor receptor, ralimetinib
著者Chitnis, S.P, Heppner, D.E.
登録日2023-02-14
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of a lower potency target drives the anticancer activity of a clinical p38 inhibitor.
Cell Chem Biol, 30, 2023
8G5S
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BU of 8g5s by Molmil
Crystal structure of apo TnmJ
分子名称: TnmJ
著者Liu, Y.-C, Li, G, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
7D5E
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BU of 7d5e by Molmil
Left-handed G-quadruplex containing two bulges
分子名称: 2xBulge-LHG4motif, POTASSIUM ION, SODIUM ION, ...
著者Das, P, Maity, A, Ngo, K.H, Winnerdy, F.R, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T.
登録日2020-09-25
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
6E12
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BU of 6e12 by Molmil
Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
分子名称: Alr8543 protein, CHLORIDE ION, MAGNESIUM ION, ...
著者Forouhar, F, Neely, H, Seetharaman, J, Xiao, R, Ciccosanti, C, Patel, D, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2018-07-09
公開日2018-07-25
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
To Be Published

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件を2024-08-21に公開中

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