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4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
7EA7
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BU of 7ea7 by Molmil
crystal structure of NAP1 LIR in complex with GABARAP
Descriptor: Gamma-aminobutyric acid receptor-associated protein, NAP1_LIR motif
Authors:Fu, T, Pan, L.
Deposit date:2021-03-06
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EA2
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BU of 7ea2 by Molmil
crystal structure of NAP1 FIR in complex with RB1CC1 Claw domain
Descriptor: 5-azacytidine-induced protein 2,RB1-inducible coiled-coil protein 1, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Fu, T, Pan, L.
Deposit date:2021-03-06
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EAA
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BU of 7eaa by Molmil
crystal structure of NDP52 SKICH domain in complex with RB1CC1 coiled-coil domain
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, RB1-inducible coiled-coil protein 1
Authors:Fu, T, Pan, L.
Deposit date:2021-03-06
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
3S8P
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BU of 3s8p by Molmil
Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine
Descriptor: Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-05-30
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
3QK5
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BU of 3qk5 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-31
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4I78
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BU of 4i78 by Molmil
Crystal structure of a subtype H17 hemagglutinin homologue from A/little yellow-shouldered bat/Guatemala/060/2010 (H17N10)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-11-30
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Hemagglutinin homologue from H17N10 bat influenza virus exhibits divergent receptor-binding and pH-dependent fusion activities.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IMG
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BU of 4img by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, N-acetylneuraminate lyase
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
3BAS
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BU of 3bas by Molmil
Crystal structure of the N-terminal region of the scallop myosin rod, monoclinic (C2) form
Descriptor: IODIDE ION, Myosin heavy chain, striated muscle/General control protein GCN4 chimera
Authors:Brown, J.H, Cohen, C.
Deposit date:2007-11-08
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An unstable head-rod junction may promote folding into the compact off-state conformation of regulated myosins.
J.Mol.Biol., 375, 2008
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
Descriptor: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-04-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
3BZH
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BU of 3bzh by Molmil
Crystal structure of human ubiquitin-conjugating enzyme E2 E1
Descriptor: GLYCEROL, Ubiquitin-conjugating enzyme E2 E1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-01-18
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
4IMF
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BU of 4imf by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
2AI6
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BU of 2ai6 by Molmil
Solution structure of human phosphohistidine phosphatase 1
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2005-07-29
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
2F54
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BU of 2f54 by Molmil
Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1B, HLA class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Jakobsen, B.K, Dunn, S.M, Sami, M.
Deposit date:2005-11-25
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity.
Protein Sci., 15, 2006
4JFH
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BU of 4jfh by Molmil
High Affinity alpha24-beta17 T Cell Receptor for A2 HLA-Melanoma peptide complex
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFP
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BU of 4jfp by Molmil
A2 HLA complex with G4A heteroclitic variant of Melanoma peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
2FLO
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BU of 2flo by Molmil
Crystal structure of exopolyphosphatase (PPX) from E. coli O157:H7
Descriptor: Exopolyphosphatase
Authors:Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-06
Release date:2006-06-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Exopolyphosphatase (PPX) from Escherichia coli O157:H7 Suggests a Binding Mode for Long Polyphosphate Chains.
J.Mol.Biol., 359, 2006
3PS3
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BU of 3ps3 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-053 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
7E4Z
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BU of 7e4z by Molmil
Crystal structure of tubulin in complex with Maytansinol
Descriptor: (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-16
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4Q
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BU of 7e4q by Molmil
Crystal structure of tubulin in complex with L-DM1-SMe
Descriptor: (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-14
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4R
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BU of 7e4r by Molmil
Crystal structure of tubulin in complex with D-DM1-SMe
Descriptor: (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-15
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
3OW8
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BU of 3ow8 by Molmil
Crystal Structure of the WD repeat-containing protein 61
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 61
Authors:Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-09-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
4JFO
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BU of 4jfo by Molmil
A2 HLA complex with E1A heteroclitic variant of Melanoma peptide
Descriptor: Beta-2-microglobulin, E1A heteroclitic Melanoma peptide, GLYCEROL, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFD
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BU of 4jfd by Molmil
Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013

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