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6X2J
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BU of 6x2j by Molmil
Structure of human TRPA1 in complex with agonist GNE551
分子名称: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Chen, H.
登録日2020-05-20
公開日2020-11-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel.
Neuron, 109, 2021
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
著者Xia, Z, Huang, L.
登録日2007-01-14
公開日2008-01-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
6W4F
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BU of 6w4f by Molmil
NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
登録日2020-03-10
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
分子名称: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
著者Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-02-26
公開日2020-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
6W1O
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BU of 6w1o by Molmil
RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MMU
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BU of 5mmu by Molmil
NMR solution structure of the major apple allergen Mal d 1
分子名称: Major allergen Mal d 1
著者Ahammer, L, Grutsch, S, Kamenik, A.S, Liedl, K.R, Tollinger, M.
登録日2016-12-12
公開日2017-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Major Apple Allergen Mal d 1.
J. Agric. Food Chem., 65, 2017
3N9P
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BU of 3n9p by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
5EJG
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BU of 5ejg by Molmil
Crystal structure of NAD kinase P252D mutant from Listeria monocytogenes
分子名称: NAD kinase 1
著者Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.877 Å)
主引用文献Crystal structure of NAD kinase 1 from Listeria monocytogenes: P252D mutant
to be published
6WRE
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BU of 6wre by Molmil
Crystal structure of mouse DXO in complex with 5'-OH RNA substrate mimic and calcium ion
分子名称: 3'-URIDINEMONOPHOSPHATE, CALCIUM ION, Decapping and exoribonuclease protein, ...
著者Doamekpor, S.K, Tong, L.
登録日2020-04-29
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel 5'-hydroxyl dinucleotide hydrolase activity for the DXO/Rai1 family of enzymes.
Nucleic Acids Res., 48, 2020
6WKK
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BU of 6wkk by Molmil
Phage G gp27 major capsid proteins and gp26 decoration proteins
分子名称: Gp26 capsid decoration protein, Gp27 major capsid protein
著者Monroe, L, Gonzalez, B, Jiang, W, Kihara, D.
登録日2020-04-16
公開日2020-06-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Phage G Structure at 6.1 angstrom Resolution, Condensed DNA, and Host Identity Revision to a Lysinibacillus.
J.Mol.Biol., 432, 2020
4H1Q
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BU of 4h1q by Molmil
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
分子名称: CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-11
公開日2013-04-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
3N9O
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BU of 3n9o by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
5EJH
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BU of 5ejh by Molmil
Crystal structure of NAD kinase V98S mutant from Listeria monocytogenes
分子名称: CITRIC ACID, NAD kinase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of NAD kinase 1 from Listeria monocytogenes: V98S mutant
to be published
3OGI
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BU of 3ogi by Molmil
Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP complex (Rv2346c-Rv2347c)
分子名称: Putative ESAT-6-like protein 6, Putative ESAT-6-like protein 7
著者Arbing, M.A, Chan, S, Zhou, T.T, Ahn, C, Harris, L, Kuo, E, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2010-08-16
公開日2010-08-25
最終更新日2014-05-21
実験手法X-RAY DIFFRACTION (2.549 Å)
主引用文献Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
6WQ3
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BU of 6wq3 by Molmil
Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-adenosyl-L-homocysteine.
分子名称: 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-28
公開日2020-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6WRZ
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BU of 6wrz by Molmil
Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 with 7-methyl-GpppA and S-adenosyl-L-homocysteine in the Active Site and Sulfates in the mRNA Binding Groove.
分子名称: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-30
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
3OLG
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BU of 3olg by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin III03
分子名称: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
5DAT
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BU of 5dat by Molmil
Complex of yeast 80S ribosome with hypusine-containing eIF5A
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M.
登録日2015-08-20
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome
To Be Published
7CFN
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BU of 7cfn by Molmil
Cryo-EM structure of the INT-777-bound GPBAR-Gs complex
分子名称: (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
著者Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
登録日2020-06-27
公開日2020-09-09
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
3OLE
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BU of 3ole by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin II03
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
5EJI
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BU of 5eji by Molmil
Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi
分子名称: CITRIC ACID, MANGANESE (II) ION, NAD kinase 1, ...
著者Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi
to be published
6W1P
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RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W37
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STRUCTURE OF THE SARS-CoV-2 ORF7A ENCODED ACCESSORY PROTEIN
分子名称: ORF7a protein
著者Nelson, C.A, Minasov, G, Shuvalova, L, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-09
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献STRUCTURE OF THE SARS-CoV-2 ORF7A ENCODED ACCESSORY PROTEIN
To be published
5EJF
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BU of 5ejf by Molmil
Crystal structure of NAD kinase P101A mutant from Listeria monocytogenes
分子名称: NAD kinase 1
著者Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of NAD kinase 1 from Listeria monocytogenes: P101A mutant
to be published
6W98
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Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria
分子名称: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ...
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-22
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020

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