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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
Descriptor: GLYCEROL, Heavy chain, monoclonal antibody 5H2, ...
Authors:Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
Deposit date:2011-10-25
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
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
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite: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
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
Descriptor: BpPRF, CHLORIDE ION, FE (III) ION, ...
Authors:Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
Deposit date:2017-04-03
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Integrase p46, ...
Authors: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)
Deposit date:2013-12-12
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-05-23
Release date:2012-11-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Phenylacetaldehyde dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-19
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Titin
Authors:Rees, M.J, Gautel, M.
Deposit date:2013-12-13
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.853 Å)
Cite: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
Descriptor: 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
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-28
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.881 Å)
Cite: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
Descriptor: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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
Authors:Takala, H, Ihalainen, J.A, Westenhoff, S.
Deposit date:2013-12-14
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite: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
Descriptor: Lipoprotein NlpI, Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
Authors:Tzeng, S.R, Wang, S, Huang, C.H.
Deposit date:2024-01-13
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
Authors:Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ...
Authors:Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite: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.
Descriptor: CHLORIDE ION, Carbonic anhydrase, ZINC ION
Authors:Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.695 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ...
Authors:Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
Deposit date:2024-05-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.41 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Isocitrate lyase, MAGNESIUM ION
Authors:Liu, X.H, Zhao, W.H.
Deposit date:2024-04-11
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: 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, ...
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-27
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors: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.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2012-06-12
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Epratuzumab Fab Heavy Chain, Epratuzumab Fab Light Chain
Authors:Sicard, T, Ereno-Orbea, J, Julien, J.P.
Deposit date:2017-04-21
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.014 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ...
Authors: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.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-28
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite: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
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2011-11-15
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
To be Published

222415

數據於2024-07-10公開中

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