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7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Dong, J, Crowe, J.E.
登録日2020-12-28
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
6G2X
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BU of 6g2x by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Stach, L, Morgan, R.M.L, Freemont, P.S.
登録日2018-03-23
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
分子名称: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
3QQ2
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BU of 3qq2 by Molmil
Crystal Structure of the Beta Domain of the Bordetella Autotransporter Brka
分子名称: BrkA autotransporter
著者Zhai, Y, Zhang, K, Huo, Y, Sun, F.
登録日2011-02-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Autotransporter passenger domain secretion requires a hydrophobic cavity at the extracellular entrance of the beta-domain pore
Biochem.J., 435, 2011
5GN8
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BU of 5gn8 by Molmil
Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
分子名称: CALCIUM ION, Ferritin heavy chain
著者Zhang, S, Zang, J, Zhao, G, Mikami, B.
登録日2016-07-19
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献"Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages
ACS Nano, 10, 2016
6IFN
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BU of 6ifn by Molmil
Crystal structure of Type III-A CRISPR Csm complex
分子名称: MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ...
著者You, L, Wang, J, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7KNW
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BU of 7knw by Molmil
Crystal structure of SND1 in complex with C-26-A2
分子名称: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
分子名称: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
6G2W
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BU of 6g2w by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Stach, L, Morgan, R.M.L, Freemont, P.S.
登録日2018-03-23
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.678 Å)
主引用文献Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G2V
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BU of 6g2v by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Stach, L, Morgan, R.M.L, Freemont, P.S.
登録日2018-03-23
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
5B6K
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BU of 5b6k by Molmil
Crystal structure of Ketoreductase 1 from Candida glabrata
分子名称: SULFATE ION, Uncharacterized protein CgKR1
著者Qin, B, Mori, T, Abe, I, You, S.
登録日2016-05-30
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Engineering of Candida glabrata Ketoreductase 1 for Asymmetric Reduction of alpha-Halo Ketones
To Be Published
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
2L42
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BU of 2l42 by Molmil
The solution structure of Rap1 BRCT domain from Saccharomyces cerevisiae
分子名称: DNA-binding protein RAP1
著者Zhang, W, Zhang, J, Tu, X.
登録日2010-09-29
公開日2011-01-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of Rap1 BRCT domain from Saccharomyces cerevisiae reveals a novel fold
Biochem.Biophys.Res.Commun., 404, 2011
7XPZ
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BU of 7xpz by Molmil
Structure of Apo-hSLC19A1
分子名称: Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ2
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BU of 7xq2 by Molmil
Structure of hSLC19A1+2'3'-cGAMP
分子名称: Reduced folate transporter, cGAMP
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ0
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BU of 7xq0 by Molmil
Structure of hSLC19A1+3'3'-CDA
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ1
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BU of 7xq1 by Molmil
Structure of hSLC19A1+2'3'-CDAS
分子名称: (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
8DMK
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BU of 8dmk by Molmil
Cryo-EM reveals the molecular basis of laminin polymerization and LN-lamininopathies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Laminin subunit alpha-1, ...
著者Kulczyk, A.W.
登録日2022-07-08
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM reveals the molecular basis oflaminin polymerization and LN-lamininopathies.
Nat Commun, 14, 2023
7V27
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BU of 7v27 by Molmil
RBD/XG005 local refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, XG005-VH, ...
著者Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
登録日2021-08-07
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献RBD/XG005 local refinement
To Be Published
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
分子名称: U-box domain-containing protein 12, UBC core domain-containing protein
著者Zhang, Y, Yu, C.Z.
登録日2022-03-30
公開日2023-10-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
6NW9
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BU of 6nw9 by Molmil
CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
著者Greenfield, J.Y, Herzberg, O.
登録日2019-02-06
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019

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