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8SDH
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BU of 8sdh by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.56
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, Neutralizing antibody CC25.56 Heavy Chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
4WJT
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BU of 4wjt by Molmil
Stationary Phase Survival Protein YuiC from B.subtilis complexed with NAG
分子名称: (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DFS
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BU of 6dfs by Molmil
mouse TCR I.29 in complex with IAg7-p8E9E6ss
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
4WLN
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BU of 4wln by Molmil
Crystal structure of apo MDH2
分子名称: Malate dehydrogenase, mitochondrial, PHOSPHATE ION
著者Eo, Y.M, Han, B.G, Ahn, H.C.
登録日2014-10-07
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of apo MDH2
To Be Published
4WJG
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BU of 4wjg by Molmil
Structure of T. brucei haptoglobin-hemoglobin receptor binding to human haptoglobin-hemoglobin
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, Haptoglobin, ...
著者Stoedkilde, K, Torvund-Jensen, M, Moestrup, S.K, Andersen, C.B.F.
登録日2014-09-30
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for trypanosomal haem acquisition and susceptibility to the host innate immune system.
Nat Commun, 5, 2014
8THM
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BU of 8thm by Molmil
Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
著者Pulsford, S.B, Jackson, C.J.
登録日2023-07-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP)
To Be Published
8TFP
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BU of 8tfp by Molmil
Fab from C10-S66K antibody in complex with carfentanil
分子名称: Carfentanil, Heavy chain of Fab from C10-S66K antibody, Light chain of Fab from C10-S66K antibody
著者Pholcharee, T, Wilson, I.A.
登録日2023-07-11
公開日2023-08-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
8TGD
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BU of 8tgd by Molmil
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha
分子名称: 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ...
著者Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
登録日2023-07-12
公開日2023-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.928 Å)
主引用文献STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
3LRU
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BU of 3lru by Molmil
hPRP8 Non-Native Subdomain
分子名称: Pre-mRNA-processing-splicing factor 8
著者Schellenberg, M.J, Ritchie, D.B, MacMillan, A.M.
登録日2010-02-11
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Context-dependent remodeling of structure in two large protein fragments.
J.Mol.Biol., 402, 2010
1QJL
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BU of 1qjl by Molmil
METALLOTHIONEIN MTA FROM SEA URCHIN (BETA DOMAIN)
分子名称: CADMIUM ION, METALLOTHIONEIN
著者Riek, R, Precheur, B, Wang, Y, Mackay, E.A, Wider, G, Guntert, P, Liu, A, Kaegi, J.H.R, Wuthrich, K.
登録日1999-06-24
公開日1999-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA.
J. Mol. Biol., 291, 1999
4K1S
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BU of 4k1s by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution
分子名称: Serine protease SplB
著者Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
登録日2013-04-05
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
分子名称: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
著者Chopra, R, Vash, B.
登録日2018-05-15
公開日2019-04-03
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
3LJF
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BU of 3ljf by Molmil
The X-ray structure of iron superoxide dismutase from Pseudoalteromonas haloplanktis (crystal form II)
分子名称: FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, iron superoxide dismutase
著者Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
登録日2010-01-26
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
2AI9
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BU of 2ai9 by Molmil
S.aureus Polypeptide Deformylase
分子名称: NICKEL (II) ION, Peptide deformylase, SULFATE ION
著者Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
登録日2005-07-29
公開日2005-09-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
1QMN
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BU of 1qmn by Molmil
Alpha1-antichymotrypsin serpin in the delta conformation (partial loop insertion)
分子名称: ALPHA-1-ANTICHYMOTRYPSIN
著者Gooptu, B, Hazes, B, Lomas, D.A.
登録日1999-10-04
公開日2000-01-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Inactive Conformation of the Serpin Alpha1-Antichymotrypsin Indicates Two-Stage Insertion of the Reactive Loop: Implications for Inhibitory Function and Conformational Disease
Proc.Natl.Acad.Sci.USA, 97, 2000
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Jacobson, B.L, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
8SE5
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BU of 8se5 by Molmil
NKG2D complexed with inhibitor 14
分子名称: DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2023-04-08
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
4BD3
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BU of 4bd3 by Molmil
Phf19 links methylated lysine 36 of histone H3 to regulation of Polycomb activity
分子名称: HISTONE H3, PHD FINGER PROTEIN 19
著者Lapinaite, A, Simon, B, Carlomagno, T.
登録日2012-10-04
公開日2012-10-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Phf19 Links Methylated Lys36 of Histone H3 to Regulation of Polycomb Activity
Nat.Struct.Mol.Biol., 19, 2012
3LYX
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BU of 3lyx by Molmil
Crystal structure of the PAS domain of the protein CPS_1291 from Colwellia psychrerythraea. Northeast Structural Genomics Consortium target id CsR222B
分子名称: Sensory box/GGDEF domain protein
著者Seetharaman, J, Chen, Y, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-02-28
公開日2010-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the PAS domain of the protein CPS_1291 from Colwellia psychrerythraea. Northeast Structural Genomics Consortium target id CsR222B
To be Published
6DGF
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BU of 6dgf by Molmil
Ubiquitin Variant bound to USP2
分子名称: Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ...
著者Manczyk, N, Sicheri, F.
登録日2018-05-17
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases.
J. Mol. Biol., 431, 2019
6WTM
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BU of 6wtm by Molmil
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: 3C-like proteinase
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
3LX8
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BU of 3lx8 by Molmil
Crystal structure of GDP-bound NFeoB from S. thermophilus
分子名称: Ferrous iron uptake transporter protein B, GUANOSINE-5'-DIPHOSPHATE
著者Ash, M.R, Guilfoyle, A, Maher, M.J, Clarke, R.J, Guss, J.M, Jormakka, M.
登録日2010-02-24
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potassium-activated GTPase reaction in the G Protein-coupled ferrous iron transporter B.
J.Biol.Chem., 285, 2010
6DM8
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BU of 6dm8 by Molmil
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B.
登録日2018-06-04
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
1QAP
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BU of 1qap by Molmil
QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE WITH BOUND QUINOLINIC ACID
分子名称: QUINOLINIC ACID, QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE
著者Eads, J.C, Ozturk, D, Wexler, T.B, Grubmeyer, C, Sacchettini, J.C.
登録日1996-09-20
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A new function for a common fold: the crystal structure of quinolinic acid phosphoribosyltransferase.
Structure, 5, 1997

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