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8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.537 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
3UC0
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BU of 3uc0 by Molmil
Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
分子名称: GLYCEROL, Heavy chain, monoclonal antibody 5H2, ...
著者Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
登録日2011-10-25
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
5VE5
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BU of 5ve5 by Molmil
Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione
分子名称: BpPRF, CHLORIDE ION, FE (III) ION, ...
著者Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
登録日2017-04-03
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
4NZG
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BU of 4nzg by Molmil
Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase, Northeast Structural Genomics Consortium Target OR3
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Integrase p46, ...
著者Guan, R, Jiang, M, Janjua, H, Maglaqui, M, Zhao, L, Xiao, R, Acton, T.B, Everett, J.K, Roth, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-12-12
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
Proteins, 85, 2017
4FBG
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BU of 4fbg by Molmil
Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597
著者Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
登録日2012-05-23
公開日2012-11-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
4O5H
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BU of 4o5h by Molmil
X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Phenylacetaldehyde dehydrogenase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-19
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia
TO BE PUBLISHED
4O00
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BU of 4o00 by Molmil
Crystal structure of the Titin A-band domain A3
分子名称: Titin
著者Rees, M.J, Gautel, M.
登録日2013-12-13
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Crystal structure of the Titin A-band domain A3
To be Published
3UDE
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BU of 3ude by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-28
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
3GVB
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BU of 3gvb by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-30
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
4O0P
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BU of 4o0p by Molmil
Crystal Structure of D. radiodurans Bacteriophytochrome Photosensory Core Module in its Dark Form
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Takala, H, Ihalainen, J.A, Westenhoff, S.
登録日2013-12-14
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Signal amplification and transduction in phytochrome photosensors
Nature, 509, 2014
8XUP
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BU of 8xup by Molmil
Crystal structure of lipoprotein NlpI in complex with MepS
分子名称: Lipoprotein NlpI, Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
著者Tzeng, S.R, Wang, S, Huang, C.H.
登録日2024-01-13
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of lipoprotein NlpI in complex with MepS
To Be Published
4O42
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BU of 4o42 by Molmil
Tandem chromodomains of human CHD1 in complex with influenza NS1 C-terminal tail dimethylated at K229
分子名称: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
著者Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
5VH4
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BU of 5vh4 by Molmil
Crystal structure of Fab fragment of anti-TNFa antibody infliximab in an I-centered orthorhombic crystal form
分子名称: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ...
著者Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P.
登録日2017-04-12
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
4O1J
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BU of 4o1j by Molmil
Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
分子名称: CHLORIDE ION, Carbonic anhydrase, ZINC ION
著者Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S.
登録日2013-12-16
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Febs J., 281, 2014
8ZN3
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BU of 8zn3 by Molmil
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ...
著者Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
登録日2024-05-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
8Z1R
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BU of 8z1r by Molmil
isocitrate lyase MoMcl1
分子名称: 1,2-ETHANEDIOL, Isocitrate lyase, MAGNESIUM ION
著者Liu, X.H, Zhao, W.H.
登録日2024-04-11
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献High-resolution crystal structure of the MoMcl1 protein
To Be Published
5VIV
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BU of 5viv by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP670
分子名称: 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid, 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
著者Pletnev, S.
登録日2017-04-17
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
8XMG
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BU of 8xmg by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron HV.1 spike protein(6P), RBD-closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-27
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants
To Be Published
6DDL
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BU of 6ddl by Molmil
Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state
分子名称: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
分子名称: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
著者Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4FJY
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BU of 4fjy by Molmil
Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f
分子名称: 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
5VKK
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BU of 5vkk by Molmil
Crystal structure of Fab fragment of anti-CD22 Epratuzumab
分子名称: Epratuzumab Fab Heavy Chain, Epratuzumab Fab Light Chain
著者Sicard, T, Ereno-Orbea, J, Julien, J.P.
登録日2017-04-21
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.014 Å)
主引用文献Molecular basis of human CD22 function and therapeutic targeting.
Nat Commun, 8, 2017
6DE2
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BU of 6de2 by Molmil
Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ...
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
8XN3
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BU of 8xn3 by Molmil
SARS-CoV-2 Omicron HV.1 RBD in complex with human ACE2 (local refinement from the spike protein)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-28
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants
To Be Published
3UNL
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BU of 3unl by Molmil
Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
登録日2011-11-15
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
To be Published

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件を2024-07-10に公開中

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