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7QUO
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BU of 7quo by Molmil
FimH lectin domain in complex with oligomannose-6
分子名称: FimH, NICKEL (II) ION, SULFATE ION, ...
著者Bouckaert, J, Bourenkov, G.P.
登録日2022-01-18
公開日2023-02-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
5VPK
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BU of 5vpk by Molmil
CRYSTAL STRUCTURE OF MITE ALLERGEN DER F 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Der f 1 variant, SULFATE ION
著者Chruszcz, M, Chapman, M.D, Vailes, L.D, Pomes, A, Minor, W.
登録日2017-05-05
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Of Mite Allergens Der F 1 And Der P 1 Reveal Differences In Surface-Exposed Residues That May Influence Antibody Binding
J.Mol.Biol., 386, 2009
6QJR
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BU of 6qjr by Molmil
Crystal structure of a DNA dodecamer containing a tetramethylpyrrolinoxyl (nitroxide) spin label
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*(5NO)P*GP*CP*G)-3')
著者Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E.
登録日2019-01-24
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
5VD8
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BU of 5vd8 by Molmil
Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue
分子名称: 1,2-ETHANEDIOL, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
4UZ6
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BU of 4uz6 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM V - SOS COMPLEX - 1.9A
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
6DLB
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BU of 6dlb by Molmil
Crystal Structure of an influenza A hemagglutinin antibody Fab CH65:1203d4 chimera
分子名称: CH65:1203d4 Fab heavy chain, CH65:1203d4 Fab light chain, SULFATE ION
著者Dong, J, Finn, J.A, Crowe, J.E.
登録日2018-05-31
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
6QI3
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BU of 6qi3 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 27072 ms
分子名称: Fluoroacetate dehalogenase, GLYCOLIC ACID
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QIN
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BU of 6qin by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
分子名称: CHLORIDE ION, MAGNESIUM ION, PMGL2
著者Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
登録日2019-01-21
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020
5VD4
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BU of 5vd4 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue
分子名称: 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
7XTB
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BU of 7xtb by Molmil
Serotonin 6 (5-HT6) receptor-Gs-Nb35 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
登録日2022-05-16
公開日2022-07-27
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XTC
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BU of 7xtc by Molmil
Serotonin 7 (5-HT7) receptor-Gs-Nb35 complex
分子名称: 3-(2-azanylethyl)-1H-indole-5-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
登録日2022-05-16
公開日2022-07-27
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XTA
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BU of 7xta by Molmil
Serotonin 4 (5-HT4) receptor-Gi-scFv16 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
登録日2022-05-16
公開日2022-07-27
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
5VEP
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BU of 5vep by Molmil
MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
登録日2017-04-05
公開日2017-11-29
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
7XT9
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BU of 7xt9 by Molmil
Serotonin 4 (5-HT4) receptor-Gs complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
登録日2022-05-16
公開日2022-07-27
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XT8
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BU of 7xt8 by Molmil
Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
登録日2022-05-16
公開日2022-07-27
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
6QHV
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BU of 6qhv by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.715 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
5VF5
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BU of 5vf5 by Molmil
Crystal structure of the vicilin from Solanum melongena, re-refinement
分子名称: ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
登録日2017-04-06
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
5VOB
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BU of 5vob by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Malito, E, Chandramouli, S.
登録日2017-05-02
公開日2017-07-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
4WCE
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BU of 4wce by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
登録日2014-09-04
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.526 Å)
主引用文献Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
5VQ5
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BU of 5vq5 by Molmil
Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD
分子名称: Adhesin, IODIDE ION
著者Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D.
登録日2017-05-08
公開日2017-05-24
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist.
Nature, 546, 2017
6QLA
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BU of 6qla by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ...
著者Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
登録日2019-01-31
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
6DJD
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BU of 6djd by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak)
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 2019
6DLA
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BU of 6dla by Molmil
Crystal structures of an influenza A hemagglutinin antibody Fab CH65:7969d2
分子名称: CH65:7969d2 Fab heavy chain, CH65:7969d2 Fab light chain, SULFATE ION
著者Dong, J, Crowe, J.E, Finn, J.A.
登録日2018-05-31
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
7QT4
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BU of 7qt4 by Molmil
Antibody FenAb709 - fentanyl complex
分子名称: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023

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