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PDB: 88608 件

6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
分子名称: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
著者Xu, J.H, Solania, A, Wolan, D.W.
登録日2020-03-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published
3EPZ
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BU of 3epz by Molmil
Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1
分子名称: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-09-30
公開日2008-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1.
J.Biol.Chem., 286, 2011
3ESU
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BU of 3esu by Molmil
Crystal structure of anthrax-neutralizing single-chain antibody 14b7
分子名称: Antibody 14b7* light chain and antibody 14b7* heavy chain linked with a synthetic (GGGGS)4 linker
著者Monzingo, A.F, Maynard, J.A, Iverson, B.L, Georgiou, G, Robertus, J.D.
登録日2008-10-06
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
6PVL
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BU of 6pvl by Molmil
Cryo-EM structure of mouse TRPV3 in closed state at 42 degrees Celsius
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2019-07-21
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
3ESO
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BU of 3eso by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide
分子名称: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2008-10-06
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
7TBB
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BU of 7tbb by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
5KVG
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BU of 5kvg by Molmil
Zika specific antibody, ZV-67, bound to ZIKA envelope DIII
分子名称: CHLORIDE ION, ZIKA Envelope DIII, ZV-67 Antibody Fab Heavy Chain, ...
著者Zhao, H, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-14
公開日2016-08-03
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Zika Virus-Specific Antibody Protection.
Cell, 166, 2016
7BF3
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Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine
分子名称: 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ...
著者Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2020-12-31
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6PVM
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BU of 6pvm by Molmil
Cryo-EM structure of mouse TRPV3 in putative sensitized state at 42 degrees Celsius
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2019-07-21
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
8A8Y
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BU of 8a8y by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase
著者Adam, S, Hirsch, A.
登録日2022-06-24
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.10000443 Å)
主引用文献Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
To Be Published
1STE
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BU of 1ste by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2 FROM STAPHYLOCOCCUS AUREUS
分子名称: STAPHYLOCOCCAL ENTEROTOXIN C2, ZINC ION
著者Acharya, K.R, Papageorgiou, A.C.
登録日1995-08-21
公開日1996-12-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the superantigen enterotoxin C2 from Staphylococcus aureus reveals a zinc-binding site.
Structure, 3, 1995
3ESS
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BU of 3ess by Molmil
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor
分子名称: 1H-benzo[de]isoquinoline-1,3(2H)-dione, Cholix toxin
著者Merrill, A.R, Jorgensen, R.
登録日2008-10-06
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.191 Å)
主引用文献Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins
Fems Microbiol.Lett., 300, 2009
6VR8
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BU of 6vr8 by Molmil
Structure of a pseudomurein peptide ligase type E from Methanothermus fervidus
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Mur ligase middle domain protein, ...
著者Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P.
登録日2020-02-06
公開日2021-08-11
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
2WFO
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BU of 2wfo by Molmil
Crystal structure of Machupo virus envelope glycoprotein GP1
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, GLYCOPROTEIN 1
著者Bowden, T.A, Crispin, M, Graham, S.C, Harvey, D.J, Grimes, J.M, Jones, E.Y, Stuart, D.I.
登録日2009-04-09
公開日2009-06-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Unusual Molecular Architecture of the Machupo Virus Attachment Glycoprotein.
J.Virol., 83, 2009
7T0P
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BU of 7t0p by Molmil
JAK2 JH2 IN COMPLEX WITH JAK315
分子名称: 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2
著者Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L.
登録日2021-11-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
分子名称: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
3ESN
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BU of 3esn by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
分子名称: N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2008-10-06
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
7T70
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-14
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA4
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10
分子名称: 3C-like proteinase, Nonstructural protein 9/10
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
4RIF
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BU of 4rif by Molmil
Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex
分子名称: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
7T9Y
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA7
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BU of 7ta7 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
1T15
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BU of 1t15 by Molmil
Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase
分子名称: BRCA1 interacting protein C-terminal helicase 1, Breast cancer type 1 susceptibility protein
著者Clapperton, J.A, Manke, I.A, Lowery, D.M, Ho, T, Haire, L.F, Yaffe, M.B, Smerdon, S.J.
登録日2004-04-15
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and mechanism of BRCA1 BRCT domain recognition of phosphorylated BACH1 with implications for cancer
Nat.Struct.Mol.Biol., 11, 2004
6WAP
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BU of 6wap by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
分子名称: HIV-1 capsid protein
著者Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
登録日2020-03-25
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
分子名称: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015

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