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7WPB
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BU of 7wpb by Molmil
SARS-CoV-2 Omicron Variant RBD complexed with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
著者Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E.
登録日2022-01-23
公開日2022-03-09
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
3IK9
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BU of 3ik9 by Molmil
Human GST A1-1-GIMF with GSDHN
分子名称: (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E.
登録日2009-08-05
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
5TH6
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BU of 5th6 by Molmil
Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9)
分子名称: CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ZINC ION
著者Appleby, T.C, Greenstein, A.E, Kwon, H.J.
登録日2016-09-29
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
5VSO
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BU of 5vso by Molmil
NMR structure of Ydj1 J-domain, a cytosolic Hsp40 from Saccharomyces cerevisiae
分子名称: Yeast dnaJ protein 1
著者Ciesielski, S.J, Tonelli, M, Lee, W, Cornilescu, G, Markley, J.L, Schilke, B.A, Ziegelhoffer, T, Craig, E.A.
登録日2017-05-12
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Broadening the functionality of a J-protein/Hsp70 molecular chaperone system.
PLoS Genet., 13, 2017
5KTR
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BU of 5ktr by Molmil
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound maleate and Fe4S4 cluster
分子名称: AMMONIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2016-07-12
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
7KSE
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BU of 7kse by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled)
分子名称: CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
1S5S
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BU of 1s5s by Molmil
Porcine trypsin complexed with guanidine-3-propanol inhibitor
分子名称: CALCIUM ION, GLYCEROL, GUANIDINE-3-PROPANOL, ...
著者Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
登録日2004-01-21
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
7KSF
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BU of 7ksf by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native)
分子名称: CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
6AW2
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BU of 6aw2 by Molmil
Crystal structure of the HopQ-CEACAM1 complex
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, HopQ
著者Bonsor, D.A, Sundberg, E.J.
登録日2017-09-05
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
5TLT
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BU of 5tlt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)
分子名称: 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TK5
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BU of 5tk5 by Molmil
Crystal structure of human 3HAO with iron bound in the active site
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION
著者Pidugu, L.S, Toth, E.A.
登録日2016-10-06
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
5WFE
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BU of 5wfe by Molmil
Cas1-Cas2-IHF-DNA holo-complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
著者Wright, A.V, Liu, J.J, Nogales, E, Doudna, J.A.
登録日2017-07-11
公開日2017-08-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structures of the CRISPR genome integration complex.
Science, 357, 2017
1OG3
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BU of 1og3 by Molmil
Crystal structure of the eukaryotic mono-ADP-ribosyltransferase ART2.2 mutant E189I in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2
著者Ritter, H, Koch-Nolte, F, Marquez, V.E, Schulz, G.E.
登録日2003-04-24
公開日2003-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate Binding and Catalysis of Ecto-Adp-Ribosyltransferase 2.2 From Rat
Biochemistry, 42, 2003
2FTP
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BU of 2ftp by Molmil
Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa
分子名称: GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase
著者Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-01-24
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa
To be Published
2M4M
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BU of 2m4m by Molmil
Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
分子名称: hypothetical protein
著者Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Patel, H, Seidel, R.D, Chook, Y.M, Rout, M.P, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
登録日2013-02-07
公開日2013-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
To be Published
6AOX
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BU of 6aox by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with TF antigen
分子名称: Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Kalas, V, Hultgren, S.J.
登録日2017-08-16
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6AQ4
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BU of 6aq4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA
分子名称: CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-18
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AWB
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BU of 6awb by Molmil
Structure of 30S ribosomal subunit and RNA polymerase complex in non-rotated state
分子名称: 16S rRNA, 30S ribosomal protein S1, 30S ribosomal protein S10, ...
著者Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A.
登録日2017-09-05
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Structure of RNA polymerase bound to ribosomal 30S subunit.
Elife, 6, 2017
5WIN
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BU of 5win by Molmil
JAK2 Pseudokinase in complex with JNJ7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Li, Q, Eck, M.J, Li, K, Park, E.
登録日2017-07-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5KTI
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BU of 5kti by Molmil
Structure of cow mincle complexed with KMJ1
分子名称: 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
著者Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I.
登録日2016-07-11
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
5KTP
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BU of 5ktp by Molmil
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster
分子名称: 2-methylidenebutanedioic acid, AMMONIUM ION, CHLORIDE ION, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2016-07-12
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.542 Å)
主引用文献Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
4LKT
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BU of 4lkt by Molmil
Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid
分子名称: AMMONIUM ION, CHLORIDE ION, CITRIC ACID, ...
著者Armstrong, E.H, Ortlund, E.A.
登録日2013-07-08
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
3IG5
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BU of 3ig5 by Molmil
Saccharomyces cerevisiae glutamate cysteine ligase in complex with Mg2+ and L-glutamate
分子名称: GLUTAMIC ACID, Glutamate-cysteine ligase, MAGNESIUM ION, ...
著者Biterova, E, Barycki, J.J.
登録日2009-07-27
公開日2009-09-01
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic details of glutathione biosynthesis revealed by crystal structures of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 284, 2009
2MBK
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BU of 2mbk by Molmil
The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed
分子名称: Crossveinless 2
著者Mueller, T.D, Fiebig, J.E, Weidauer, S.E, Qiu, L, Bauer, M, Schmieder, P, Beerbaum, M, Zhang, J, Oschkinat, H, Sebald, W.
登録日2013-08-02
公開日2013-10-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed.
Molecules, 18, 2013
5KUB
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Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
分子名称: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*CP*TP*CP*GP*GP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Catalytic Role for C-H/ pi Interactions in Base Excision Repair by Bacillus cereus DNA Glycosylase AlkD.
J.Am.Chem.Soc., 138, 2016

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