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3IHK
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BU of 3ihk by Molmil
Crystal Structure of thiamin pyrophosphokinase from S.mutans, Northeast Structural Genomics Consortium Target SmR83
分子名称: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
著者Kuzin, A, Abashidze, M, Seetharaman, J, Vorobiev, S, Mao, M, Xiao, R, Ciccosanti, C, Maglaqui, M, Foote, E.L, Zhao, L, 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2009-07-30
公開日2009-08-25
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Northeast Structural Genomics Consortium Target SmR83
To be published
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
6F22
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BU of 6f22 by Molmil
Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)
分子名称: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 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 (1.55 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
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
5Y53
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BU of 5y53 by Molmil
Crystal structure of AL2 PAL domain in complex with AtBMI1b binding site
分子名称: AtBMI1b binding site, PHD finger protein ALFIN-LIKE 2
著者Peng, L, Wang, L.L, Huang, Y.
登録日2017-08-07
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018
6VGT
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BU of 6vgt by Molmil
Solution NMR structure of enterococcal cytolysin L (CylLL") produced by Enterococcus faecalis
分子名称: cytolysin L
著者Bobeica, S.C, van der Donk, W.A, Zhu, L, Tang, W.
登録日2020-01-08
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
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
3ILM
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BU of 3ilm by Molmil
Crystal Structure of the Alr3790 protein from Anabaena sp. Northeast Structural Genomics Consortium Target NsR437h
分子名称: Alr3790 protein, MANGANESE (II) ION
著者Vorobiev, S, Chen, Y, Maglaqui, M, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-08-07
公開日2009-09-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Crystal Structure of the Alr3790 protein from Anabaena sp.
To be Published
3IEZ
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BU of 3iez by Molmil
Crystal structure of the RasGAP C-terminal (RGC) domain of IQGAP2
分子名称: Ras GTPase-activating-like protein IQGAP2, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-07-23
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the RasGAP C-terminal (RGC) domain of IQGAP2
To be Published
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
3IJ5
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BU of 3ij5 by Molmil
1.95 Angstrom Resolution Crystal Structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Yersinia pestis
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-08-03
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1.95 Angstrom Resolution Crystal Structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Yersinia pestis
TO BE PUBLISHED
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7L2C
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BU of 7l2c by Molmil
Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD)
分子名称: 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Reddem, E.R, Shapiro, L.
登録日2020-12-16
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
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
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
3IDH
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BU of 3idh by Molmil
Human pancreatic glucokinase in complex with glucose
分子名称: Glucokinase, POTASSIUM ION, alpha-D-glucopyranose
著者Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L.
登録日2009-07-21
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
3QZZ
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BU of 3qzz by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form
分子名称: Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-07
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
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
6SL4
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BU of 6sl4 by Molmil
The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum
分子名称: CALCIUM ION, Type 3a cellulose-binding domain protein
著者Milana, M.V, Almog, R, Yaniv, O, Oded, L, Inna, R.G, Felix, F, Edward, A.B, Raphael, L.
登録日2019-08-18
公開日2020-03-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum
To Be Published
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7L2E
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BU of 7l2e by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 4-18 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-18 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2F
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BU of 7l2f by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-24 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-24 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021

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