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7WPB
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BU of 7wpb by Molmil
SARS-CoV-2 Omicron Variant RBD complexed with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors: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.
Deposit date:2022-01-23
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
5TH6
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BU of 5th6 by Molmil
Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9)
Descriptor: CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ZINC ION
Authors:Appleby, T.C, Greenstein, A.E, Kwon, H.J.
Deposit date:2016-09-29
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
3IK9
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BU of 3ik9 by Molmil
Human GST A1-1-GIMF with GSDHN
Descriptor: (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
Authors:Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E.
Deposit date:2009-08-05
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
5VSO
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BU of 5vso by Molmil
NMR structure of Ydj1 J-domain, a cytosolic Hsp40 from Saccharomyces cerevisiae
Descriptor: Yeast dnaJ protein 1
Authors:Ciesielski, S.J, Tonelli, M, Lee, W, Cornilescu, G, Markley, J.L, Schilke, B.A, Ziegelhoffer, T, Craig, E.A.
Deposit date:2017-05-12
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: AMMONIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Fenwick, M.K, Ealick, S.E.
Deposit date:2016-07-12
Release date:2016-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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)
Descriptor: CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H
Authors:Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
Deposit date:2020-11-21
Release date:2021-08-11
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, GUANIDINE-3-PROPANOL, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
Deposit date:2004-01-21
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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)
Descriptor: CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H
Authors:Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
Deposit date:2020-11-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, HopQ
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2017-09-05
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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)
Descriptor: 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.903 Å)
Cite: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
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION
Authors:Pidugu, L.S, Toth, E.A.
Deposit date:2016-10-06
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Wright, A.V, Liu, J.J, Nogales, E, Doudna, J.A.
Deposit date:2017-07-11
Release date:2017-08-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2
Authors:Ritter, H, Koch-Nolte, F, Marquez, V.E, Schulz, G.E.
Deposit date:2003-04-24
Release date:2003-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase
Authors:Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-01-24
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: hypothetical protein
Authors: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)
Deposit date:2013-02-07
Release date:2013-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-16
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
Deposit date:2017-08-18
Release date:2018-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.825 Å)
Cite: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
Descriptor: 16S rRNA, 30S ribosomal protein S1, 30S ribosomal protein S10, ...
Authors:Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A.
Deposit date:2017-09-05
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite: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
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
Authors: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.
Deposit date:2016-07-11
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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
Descriptor: AMMONIUM ION, CHLORIDE ION, CITRIC ACID, ...
Authors:Armstrong, E.H, Ortlund, E.A.
Deposit date:2013-07-08
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite: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
5KTP
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BU of 5ktp by Molmil
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster
Descriptor: 2-methylidenebutanedioic acid, AMMONIUM ION, CHLORIDE ION, ...
Authors:Fenwick, M.K, Ealick, S.E.
Deposit date:2016-07-12
Release date:2016-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
3IG5
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BU of 3ig5 by Molmil
Saccharomyces cerevisiae glutamate cysteine ligase in complex with Mg2+ and L-glutamate
Descriptor: GLUTAMIC ACID, Glutamate-cysteine ligase, MAGNESIUM ION, ...
Authors:Biterova, E, Barycki, J.J.
Deposit date:2009-07-27
Release date:2009-09-01
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Crossveinless 2
Authors:Mueller, T.D, Fiebig, J.E, Weidauer, S.E, Qiu, L, Bauer, M, Schmieder, P, Beerbaum, M, Zhang, J, Oschkinat, H, Sebald, W.
Deposit date:2013-08-02
Release date:2013-10-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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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BU of 5kub by Molmil
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
Descriptor: 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'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2016-07-13
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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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