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6D0K
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BU of 6d0k by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
登録日2018-04-10
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
5W3U
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BU of 5w3u by Molmil
Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V)
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-06-08
公開日2017-12-20
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
5QQV
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BU of 5qqv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521
分子名称: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QR9
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BU of 5qr9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
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
To Be Published
7JJH
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BU of 7jjh by Molmil
Crystal structure of the unliganded tandem bromodomain (BD1, BD2) of human TAF1
分子名称: 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-07-25
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
2GTP
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BU of 2gtp by Molmil
Crystal structure of the heterodimeric complex of human RGS1 and activated Gi alpha 1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
著者Soundararajan, M, Turnbull, A.P, Ugochukwu, E, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-04-28
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1P91
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BU of 1p91 by Molmil
Crystal Structure of RlmA(I) enzyme: 23S rRNA n1-G745 methyltransferase (NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER19)
分子名称: Ribosomal RNA large subunit methyltransferase A, S-ADENOSYLMETHIONINE, SULFATE ION, ...
著者Das, K, Acton, T, Montelione, G, Arnold, E, Northeast Structural Genomics Consortium (NESG)
登録日2003-05-08
公開日2004-03-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of RlmAI: implications for understanding the 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5VRI
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BU of 5vri by Molmil
Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - closed form
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-05-10
公開日2017-12-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
3P3Q
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BU of 3p3q by Molmil
Crystal Structure of MmoQ Response regulator from Methylococcus capsulatus str. Bath at the resolution 2.4A, Northeast Structural Genomics Consortium Target McR175M
分子名称: MmoQ, SODIUM ION, SULFATE ION
著者Kuzin, A.P, Vorobiev, S.M, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-10-05
公開日2010-11-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Northeast Structural Genomics Consortium Target McR175M
To be Published
3P83
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BU of 3p83 by Molmil
Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus.
分子名称: DNA polymerase sliding clamp, Ribonuclease HII
著者Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P.
登録日2010-10-13
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献PCNA directs type 2 RNase H activity on DNA replication and repair substrates.
Nucleic Acids Res., 39, 2011
1G5J
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BU of 1g5j by Molmil
COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD
分子名称: APOPTOSIS REGULATOR BCL-X, BAD PROTEIN
著者Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W.
登録日2000-11-01
公開日2001-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies.
Protein Sci., 9, 2000
4K9G
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BU of 4k9g by Molmil
1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound
分子名称: (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one, CHLORIDE ION, ...
著者Crichlow, G.V, Al-Abed, Y, Lolis, E.J.
登録日2013-04-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献ISO-66, a novel inhibitor of macrophage migration, shows efficacy in melanoma and colon cancer models.
INT J ONCOL., 45, 2014
5W1N
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BU of 5w1n by Molmil
Crystal structure of the human astrovirus 2 Oxford serotype capsid protein spike at 1.35-A resolution
分子名称: Capsid polyprotein VP90
著者Bogdanoff, W.A, Perez, E.I, DuBois, R.M.
登録日2017-06-04
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.348 Å)
主引用文献Structural Basis for Escape of Human Astrovirus from Antibody Neutralization: Broad Implications for Rational Vaccine Design.
J. Virol., 92, 2018
5QQU
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BU of 5qqu by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7MDO
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BU of 7mdo by Molmil
Structure of human p97 ATPase L464P mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity.
Biochem.J., 478, 2021
5QRB
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BU of 5qrb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868
分子名称: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1ZVX
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BU of 1zvx by Molmil
Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer)
分子名称: (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
著者Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F.
登録日2005-06-03
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
5UT2
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BU of 5ut2 by Molmil
JAK2 JH2 in complex with PRT062607
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
7MDM
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BU of 7mdm by Molmil
Structure of human p97 ATPase L464P mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.86 Å)
主引用文献Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity.
Biochem.J., 478, 2021
6CKZ
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BU of 6ckz by Molmil
Human caspase-3 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
4PRY
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BU of 4pry by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: Ac-LETD-CHO, Caspase-3
著者Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
5W2F
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BU of 5w2f by Molmil
Crystal Structure of the C-terminal Domain of Human eIF2D at 1.4 A resolution
分子名称: Eukaryotic translation initiation factor 2D, FORMIC ACID
著者Vaidya, A.T, Lomakin, I.B, Joseph, N.N, Dmitriev, S.E, Steitz, T.A.
登録日2017-06-06
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the C-terminal Domain of Human eIF2D and Its Implications on Eukaryotic Translation Initiation.
J. Mol. Biol., 429, 2017
5QQT
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BU of 5qqt by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434834
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1OVA
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BU of 1ova by Molmil
CRYSTAL STRUCTURE OF UNCLEAVED OVALBUMIN AT 1.95 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, OVALBUMIN
著者Stein, P.E, Leslie, A.G.W.
登録日1990-11-26
公開日1992-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of uncleaved ovalbumin at 1.95 A resolution.
J.Mol.Biol., 221, 1991
1OVP
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BU of 1ovp by Molmil
LecB (PA-LII) in complex with fructose
分子名称: CALCIUM ION, beta-D-fructopyranose, hypothetical protein LecB
著者Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L.
登録日2003-03-27
公開日2003-09-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003

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