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4V45
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E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE
分子名称: 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ...
著者Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W.
登録日2001-09-13
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
4V4M
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1.45 Angstrom Structure of STNV coat protein
分子名称: CALCIUM ION, Coat protein
著者Lane, S.W, Dennis, C.A, Lane, C.L, Trinh, C.H, Rizkallah, P.J, Stockley, P.G, Phillips, S.E.V.
登録日2011-04-28
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 2011
4V96
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The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms
分子名称: BPP, ORF46, ORF48
著者Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C.
登録日2012-02-01
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
5RJM
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PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024671
分子名称: 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.407 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
4V9E
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Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer Bound to Single-stranded RNA.
分子名称: 35-mer poly(U) RNA, Nucleocapsid protein
著者Raymond, D.D, Smith, J.L.
登録日2012-09-19
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
5RK6
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BU of 5rk6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394
分子名称: 4-(4-fluorophenyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKL
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BU of 5rkl by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403
分子名称: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RAF
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BU of 5raf by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001559a
分子名称: (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RAU
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BU of 5rau by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with DA000165b
分子名称: CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
4W8F
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BU of 4w8f by Molmil
Crystal structure of the dynein motor domain in the AMPPNP-bound state
分子名称: Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D.
登録日2014-08-24
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.541 Å)
主引用文献Allosteric communication in the Dynein motor domain.
Cell, 159, 2014
4V0U
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The crystal structure of ternary PP1G-PPP1R15B and G-actin complex
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
登録日2014-09-18
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (7.88 Å)
主引用文献G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4V3W
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BU of 4v3w by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
分子名称: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4USQ
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BU of 4usq by Molmil
Structure of flavin-containing monooxygenase from Cellvibrio sp. BR
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
4UTN
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BU of 4utn by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-21
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4URR
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BU of 4urr by Molmil
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ...
著者Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
登録日2014-07-01
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
4UUD
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BU of 4uud by Molmil
Human dynamin 1 K44A superconstricted polymer stabilized with GTP
分子名称: DYNAMIN-1
著者Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E.
登録日2014-07-25
公開日2014-08-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (12.5 Å)
主引用文献A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
5R16
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BU of 5r16 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 21, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R1K
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BU of 5r1k by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 35, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RG9
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BU of 5rg9 by Molmil
Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K
分子名称: ACETATE ION, Kemp Eliminase HG4, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
4UYS
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X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae
分子名称: FLOCCULATION PROTEIN FLO11, MAGNESIUM ION, SODIUM ION
著者Kraushaar, T, Veelders, M, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O.
登録日2014-09-03
公開日2015-08-12
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands.
Structure, 23, 2015
5RJS
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PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285642082
分子名称: N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
4W9B
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BU of 4w9b by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1
分子名称: Gamma-crystallin B
著者Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
登録日2014-08-27
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
4W9J
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BU of 4w9j by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 13)
分子名称: N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
5RK9
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PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z461898648
分子名称: N,N-dimethyl-1H-pyrazole-4-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKQ
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PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196101
分子名称: 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published

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