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6Y7P
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BU of 6y7p by Molmil
The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD)
分子名称: Tako8, W-Zr-cluster
著者Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D.
登録日2020-03-02
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters
Cryst.Growth Des., 2021
8Q34
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BU of 8q34 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
著者MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M.
登録日2023-08-03
公開日2024-02-07
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
1BUE
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BU of 1bue by Molmil
NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE
分子名称: PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE)
著者Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P.
登録日1998-09-03
公開日1999-09-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity.
J.Biol.Chem., 273, 1998
8IXB
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BU of 8ixb by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IXG
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BU of 8ixg by Molmil
GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IXE
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BU of 8ixe by Molmil
GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IXA
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BU of 8ixa by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
1K0C
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BU of 1k0c by Molmil
Ure2p in complex with S-p-nitrobenzylglutathione
分子名称: GLUTATHIONE, S-(P-NITROBENZYL)GLUTATHIONE, URE2 PROTEIN
著者Bousset, L, Belrhali, H, Melki, R, Morera, S.
登録日2001-09-19
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Biochemistry, 40, 2001
8IXD
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BU of 8ixd by Molmil
GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin non-seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
6F1X
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BU of 6f1x by Molmil
Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
分子名称: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6Y1X
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BU of 6y1x by Molmil
X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ...
著者Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y.
登録日2020-02-14
公開日2020-06-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme.
J.Am.Chem.Soc., 142, 2020
8IXF
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BU of 8ixf by Molmil
GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin non-seam region
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
著者Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
登録日2023-03-31
公開日2023-08-16
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
3O9L
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BU of 3o9l by Molmil
Design and optimisation of new piperidines as renin inhibitors
分子名称: (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A.
登録日2010-08-04
公開日2011-03-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5CBA
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BU of 5cba by Molmil
3B4 in complex with CXCL13 - 3B4-CXCL13
分子名称: 1,2-ETHANEDIOL, 3b4 heavy chain, 3b4 light chain, ...
著者Tu, C, Bard, J, Mosyak, L.
登録日2015-06-30
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).
J. Biol. Chem., 291, 2016
5CCW
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BU of 5ccw by Molmil
Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2
分子名称: Au(caffein-2-ylidene)2, POTASSIUM ION, human telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Messori, L, Papi, F.
登録日2015-07-02
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investigation.
Angew.Chem.Int.Ed.Engl., 55, 2016
3ODT
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BU of 3odt by Molmil
Crystal structure of WD40 beta propeller domain of Doa1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Protein DOA1
著者Pashkova, N, Gakhar, L, Winistorfer, S.C, Yu, L, Ramaswamy, S, Piper, R.C.
登録日2010-08-11
公開日2010-12-01
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献WD40 Repeat Propellers Define a Ubiquitin-Binding Domain that Regulates Turnover of F Box Proteins.
Mol.Cell, 40, 2010
3O47
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BU of 3o47 by Molmil
Crystal structure of ARFGAP1-ARF1 fusion protein
分子名称: ADP-ribosylation factor GTPase-activating protein 1, ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Tong, Y, Nedyalkova, L, Tempel, W, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2010-07-26
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of ARFGAP1-ARF1 fusion protein
to be published
6SCR
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BU of 6scr by Molmil
Structure of CcmK4 from Synechocystis sp. PCC6803
分子名称: 1,2-ETHANEDIOL, Carbon dioxide-concentrating mechanism protein CcmK homolog 4
著者Maveyraud, L, Garcia-Alles, L.F, Mourey, L.
登録日2019-07-25
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Occurrence and stability of hetero-hexamer associations formed by beta-carboxysome CcmK shell components.
Plos One, 14, 2019
6EYL
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BU of 6eyl by Molmil
Crystal structure of OpuBC in complex with carnitine
分子名称: CARNITINE, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC
著者Peherstorfer, S, Teichmann, L, Smits, S.H, Sschmitt, L, Bremer, E.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reprogramming the substrate specificity of an ABC import system by a single amino acid substitution in its cognate ligand binding protein
To Be Published
6F23
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BU of 6f23 by Molmil
Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)
分子名称: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ...
著者Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
4DRA
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BU of 4dra by Molmil
Crystal structure of MHF complex
分子名称: Centromere protein S, Centromere protein X
著者Tao, Y, Niu, L, Teng, M.
登録日2012-02-17
公開日2012-05-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.414 Å)
主引用文献The structure of the FANCM-MHF complex reveals physical features for functional assembly
Nat Commun, 3, 2012
8J5Z
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BU of 8j5z by Molmil
The cryo-EM structure of the TwOSC1 tetramer
分子名称: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
著者Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
登録日2023-04-24
公開日2023-11-01
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
1K0A
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BU of 1k0a by Molmil
Ure2p in Complex with S-hexylglutathione
分子名称: GLUTATHIONE, S-HEXYLGLUTATHIONE, URE2 PROTEIN
著者Bousset, L, Belrhali, H, Melki, R, Morera, S.
登録日2001-09-19
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Biochemistry, 40, 2001
6Y7O
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BU of 6y7o by Molmil
The complex between the eight-bladed symmetrical designer protein Tako8 and the silicotungstic acid Keggin (STA)
分子名称: Keggin (STA), Tako8
著者Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D.
登録日2020-03-02
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters
Cryst.Growth Des., 2021

223790

件を2024-08-14に公開中

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