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5L6W
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BU of 5l6w by Molmil
Structure Of the LIMK1-ATPgammaS-CFL1 Complex
分子名称: Cofilin-1, LIM domain kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Salah, E, Mathea, S, Oerum, S, Newman, J.A, Tallant, C, Adamson, R, Canning, P, Beltrami, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Bullock, A.N.
登録日2016-05-31
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure Of the LIMK1-ATPgammaS-CFL1 Complex
To Be Published
6WAJ
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BU of 6waj by Molmil
Crystal structure of the UBL domain of human NLE1
分子名称: NLE1, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the UBL domain of human NLE1
To be Published
6WAN
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BU of 6wan by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA
分子名称: Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-03-25
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
8FV0
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BU of 8fv0 by Molmil
SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine
分子名称: Diamine N-acetyltransferase, SPERMINE
著者Tsimbalyuk, S, Forwood, J.K.
登録日2023-01-18
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine
To Be Published
4YLZ
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BU of 4ylz by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-neotetraose (LNnT)
分子名称: GLYCEROL, Galectin-4, SULFATE ION, ...
著者Bum-Erdene, K, Blanchard, H.
登録日2015-03-06
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
分子名称: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
著者Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2020-02-26
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献6-phosphogluconolactonase from Trypanosoma cruzi
To be published
5L7I
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BU of 5l7i by Molmil
Structure of human Smoothened in complex with Vismodegib
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ...
著者Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C.
登録日2016-06-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
8FHJ
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BU of 8fhj by Molmil
Crystal structure of a FAD monooxygenease from Methylocystis sp. Strain SB2
分子名称: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Stewart, A.M, Sawaya, M.R, Stewart, C.E.
登録日2022-12-14
公開日2023-05-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2.
Acta Crystallogr.,Sect.F, 79, 2023
5L8C
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BU of 5l8c by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039
分子名称: 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
登録日2016-06-07
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
6VTZ
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BU of 6vtz by Molmil
Structure of a thiolation-reductase di-domain from an archaeal non-ribosomal peptide synthetase
分子名称: Non-ribosomal peptide synthetase
著者Deshpande, S, Lott, J.S, Lee, T.V.
登録日2020-02-13
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural characterization of a PCP-R didomain from an archaeal nonribosomal peptide synthetase reveals novel interdomain interactions.
J.Biol.Chem., 296, 2021
5L8G
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BU of 5l8g by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A
分子名称: CALCIUM ION, Uncharacterized protein
著者He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
登録日2016-06-07
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.974 Å)
主引用文献Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
8FOG
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BU of 8fog by Molmil
Crystal structure of human DNA polymerase eta incorporating dITP across dT
分子名称: 2'-deoxyinosine 5'-triphosphate, CALCIUM ION, DNA polymerase eta, ...
著者Jung, H.
登録日2022-12-30
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of human DNA polymerase eta incorporating dITP across dT
To Be Published
4YWC
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BU of 4ywc by Molmil
Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide
分子名称: Protein TIFY 7, Transcription factor MYC3
著者Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y.
登録日2015-03-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
5L96
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BU of 5l96 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1
分子名称: 1,2-ETHANEDIOL, 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
6VWF
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BU of 6vwf by Molmil
Structure of ALDH9A1 complexed with NAD+ in space group C222
分子名称: 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wyatt, J.W, Tanner, J.J.
登録日2020-02-19
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
Arch.Biochem.Biophys., 691, 2020
5LA1
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BU of 5la1 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
分子名称: CALCIUM ION, Carbohydrate binding family 6, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ...
著者Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H.
登録日2016-06-13
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
8FNY
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BU of 8fny by Molmil
Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
登録日2022-12-28
公開日2023-05-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
5LAE
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BU of 5lae by Molmil
Crystal structure of murine N1-acetylpolyamine oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
著者Sjogren, T, Aagaard, A, Snijder, A, Barlind, L.
登録日2016-06-14
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
5LAQ
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BU of 5laq by Molmil
Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001
分子名称: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ...
著者Singh, A.K, Brown, D.G.
登録日2016-06-14
公開日2018-03-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
8FJ9
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BU of 8fj9 by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB in tetragonal space group P4322
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-19
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FJC
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BU of 8fjc by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in tetragonal space group P4322
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-19
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
5LBP
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BU of 5lbp by Molmil
Oceanobacillus iheyensis macrodomain mutant N30A
分子名称: MacroD-type macrodomain, PHOSPHATE ION
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-06-16
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
6W0A
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BU of 6w0a by Molmil
Open-gate KcsA soaked in 1 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.237 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
8FK4
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BU of 8fk4 by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in orthorhombic space group P21212
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, Glucosyltransferase-I, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-20
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
6W0I
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Closed-gate KcsA soaked in 10mM KCl/5mM BaCl2
分子名称: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020

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