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4MHL
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BU of 4mhl by Molmil
The crystal structure of human interleukin-11
Descriptor: FORMAMIDE, Interleukin-11, SULFATE ION
Authors:Griffin, M.D.W.
Deposit date:2013-08-29
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structure of human interleukin-11 reveals receptor-binding site features and structural differences from interleukin-6.
Acta Crystallogr.,Sect.D, 70, 2014
4LVA
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BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LX3
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BU of 4lx3 by Molmil
Conserved Residues that Modulate Protein trans-Splicing of Npu DnaE Split Intein
Descriptor: DNA polymerase III, alpha subunit, Nucleic acid binding, ...
Authors:Wu, Q, Gao, Z, Wei, Y, Ma, G, Zheng, Y, Dong, Y, Liu, Y.
Deposit date:2013-07-29
Release date:2014-06-25
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conserved residues that modulate protein trans-splicing of Npu DnaE split intein.
Biochem.J., 461, 2014
4GUL
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BU of 4gul by Molmil
Study on structure and function relationships in human ferric Pirin
Descriptor: FE (III) ION, Pirin
Authors:Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A.
Deposit date:2012-08-29
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
2N0A
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BU of 2n0a by Molmil
Atomic-resolution structure of alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Tuttle, M.D, Comellas, G, Nieuwkoop, A.J, Covell, D.J, Berthold, D.A, Kloepper, K.D, Courtney, J.M, Kim, J.K, Schwieters, C.D, Lee, V.M, George, J.M, Rienstra, C.M.
Deposit date:2015-03-04
Release date:2016-03-23
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Solid-state NMR structure of a pathogenic fibril of full-length human alpha-synuclein.
Nat.Struct.Mol.Biol., 23, 2016
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4FKO
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BU of 4fko by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Descriptor: 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine, ACETATE ION, Cyclin-dependent kinase 2
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4FKJ
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BU of 4fkj by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Descriptor: ACETATE ION, Cyclin-dependent kinase 2, N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKW
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BU of 4fkw by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FL5
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BU of 4fl5 by Molmil
Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Schumacher, B, Ottmann, C.
Deposit date:2012-06-14
Release date:2013-12-11
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
FASEB J., 29, 2015
4M6P
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BU of 4m6p by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4MHG
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BU of 4mhg by Molmil
Crystal structure of ETV6 bound to a specific DNA sequence
Descriptor: Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6
Authors:Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P.
Deposit date:2013-08-29
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
4FKR
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BU of 4fkr by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4M6Q
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BU of 4m6q by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4FKV
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BU of 4fkv by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4MO1
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BU of 4mo1 by Molmil
Crystal structure of antitermination protein Q from bacteriophage lambda. Northeast Structural Genomics Consortium target OR18A.
Descriptor: Antitermination protein Q, BROMIDE ION, CHLORIDE ION, ...
Authors:Vorobiev, S, Su, M, Nickels, B, Seetharaman, J, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Ebright, R.H, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-11
Release date:2013-09-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Crystal structure of antitermination protein Q from bacteriophage lambda.
To be Published
4FKP
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BU of 4fkp by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4II5
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BU of 4ii5 by Molmil
Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A.
Deposit date:2012-12-19
Release date:2013-01-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
4IEA
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BU of 4iea by Molmil
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
Descriptor: 14-3-3 protein sigma, RAF proto-oncogene serine/threonine-protein kinase
Authors:Molzan, M, Ottmann, C.
Deposit date:2012-12-13
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
4FKL
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BU of 4fkl by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Descriptor: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cyclin-dependent kinase 2
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4G7L
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BU of 4g7l by Molmil
Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2
Descriptor: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
Authors:Sugishima, M, Moffat, K, Noguchi, M.
Deposit date:2012-07-20
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4GCJ
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BU of 4gcj by Molmil
CDK2 in complex with inhibitor RC-3-89
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2012-07-30
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
4G99
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BU of 4g99 by Molmil
Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K
Descriptor: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
Authors:Sugishima, M, Moffat, K, Noguchi, M.
Deposit date:2012-07-23
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
Descriptor: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
Authors:Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
Deposit date:2007-03-16
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
4LJX
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BU of 4ljx by Molmil
Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution
Descriptor: AT-rich interactive domain-containing protein 3A
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2013-07-05
Release date:2013-08-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution
To be published

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數據於2024-09-04公開中

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