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8EM4
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BU of 8em4 by Molmil
Cryo-EM structure of LRP2 at pH 7.5
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Beenken, A, Cerutti, G, Brasch, J, Fitzpatrick, A.W, Barasch, J, Shapiro, L.
登録日2022-09-26
公開日2023-02-08
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structures of LRP2 reveal a molecular machine for endocytosis.
Cell, 186, 2023
6Q89
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BU of 6q89 by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-12-14
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
6Q8V
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BU of 6q8v by Molmil
Structure of the standard kink turn HmKt-7 variant A2bm6A.
分子名称: RNA (5'-R(*GP*GP*CP*GP*AP*AP*GP*(6MZ)P*AP*CP*CP*GP*GP*GP*GP*AP*GP*CP*C)-3')
著者Huang, L, Lilley, D.M.J.
登録日2018-12-16
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Effect of methylation of adenine N6on kink turn structure depends on location.
Rna Biol., 16, 2019
4A9C
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BU of 4a9c by Molmil
Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate
分子名称: BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE, PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2
著者Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Mills, S.J, Moche, M, Nyman, T, Persson, C, Potter, B.V.L, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P.
登録日2011-11-25
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery.
Acs Chem.Biol., 7, 2012
6Q8Y
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BU of 6q8y by Molmil
Cryo-EM structure of the mRNA translating and degrading yeast 80S ribosome-Xrn1 nuclease complex
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Tesina, P, Heckel, E, Cheng, J, Buschauer, R, Kater, L, Berninghausen, O, Becker, T, Beckmann, R.
登録日2018-12-16
公開日2019-03-13
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the 80S ribosome-Xrn1 nuclease complex.
Nat.Struct.Mol.Biol., 26, 2019
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
著者Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-04-07
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
4AA7
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BU of 4aa7 by Molmil
E.coli GlmU in complex with an antibacterial inhibitor
分子名称: BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-11-30
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
6QDY
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BU of 6qdy by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-01-03
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme.
Angew.Chem.Int.Ed.Engl., 58, 2019
4AAW
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BU of 4aaw by Molmil
S.pneumoniae GlmU in complex with an antibacterial inhibitor
分子名称: 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-12-05
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
6QK9
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BU of 6qk9 by Molmil
A dimeric ubiquitin formed by a single amino acid substitution
分子名称: Polyubiquitin-B
著者Gabrielsen, M, Kowalczyk, D, Buetow, L, Huang, D.T.
登録日2019-01-28
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Identification and Characterization of Mutations in Ubiquitin Required for Non-covalent Dimer Formation.
Structure, 27, 2019
6QLE
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BU of 6qle by Molmil
Structure of inner kinetochore CCAN complex
分子名称: Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3,Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3, Central kinetochore subunit MCM16,Central kinetochore subunit MCM16,Inner kinetochore subunit MCM16,Mcm16p, Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1, ...
著者Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
登録日2019-01-31
公開日2019-10-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
4A29
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BU of 4a29 by Molmil
Structure of the engineered retro-aldolase RA95.0
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-23
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
4A2R
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BU of 4a2r by Molmil
Structure of the engineered retro-aldolase RA95.5-5
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-28
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
4A3R
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BU of 4a3r by Molmil
Crystal structure of Enolase from Bacillus subtilis.
分子名称: CITRIC ACID, ENOLASE, SODIUM ION
著者Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J.
登録日2011-10-04
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome.
J.Mol.Biol., 416, 2012
6PT0
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BU of 6pt0 by Molmil
Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2
分子名称: CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q.
登録日2019-07-14
公開日2020-02-12
最終更新日2020-03-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex.
Cell, 180, 2020
6QIV
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BU of 6qiv by Molmil
Crystal structure of seleno-derivative CAG repeats with synthetic CMBL4 compound
分子名称: CMBL4, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
著者Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
登録日2019-01-21
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
4A3S
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BU of 4a3s by Molmil
Crystal structure of PFK from Bacillus subtilis
分子名称: 6-PHOSPHOFRUCTOKINASE
著者Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J.
登録日2011-10-04
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome.
J.Mol.Biol., 416, 2012
4AC3
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BU of 4ac3 by Molmil
S.pneumoniae GlmU in complex with an antibacterial inhibitor
分子名称: BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-12-12
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
7WJY
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BU of 7wjy by Molmil
Omicron spike trimer with 6m6 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-08
公開日2022-07-13
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7WJZ
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BU of 7wjz by Molmil
Omicron Spike bitrimer with 6m6 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-08
公開日2022-07-13
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
4A1F
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BU of 4a1f by Molmil
Crystal structure of C-terminal domain of Helicobacter pylori DnaB Helicase
分子名称: CITRATE ANION, REPLICATIVE DNA HELICASE
著者Stelter, M, Kapp, U, Timmins, J, Terradot, L.
登録日2011-09-14
公開日2012-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Architecture of a Dodecameric Bacterial Replicative Helicase.
Structure, 20, 2012
8EUS
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BU of 8eus by Molmil
Crystal structure of NPC1 luminal domain C
分子名称: NPC intracellular cholesterol transporter 1
著者Odongo, L, Pornillos, O.
登録日2022-10-19
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Purification and structure of luminal domain C of human Niemann-Pick C1 protein.
Acta Crystallogr.,Sect.F, 79, 2023
4AJM
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BU of 4ajm by Molmil
Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors
分子名称: 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
4AK6
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BU of 4ak6 by Molmil
BpGH117_H302E mutant glycoside hydrolase
分子名称: ANHYDRO-ALPHA-L-GALACTOSIDASE, MAGNESIUM ION
著者Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
登録日2012-02-21
公開日2012-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012

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