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4DRW
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Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide
分子名称: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10/Annexin A2 chimeric protein
著者Rezvanpour, A, Lee, T.-W, Junop, M.S, Shaw, G.S.
登録日2012-02-17
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of an asymmetric ternary protein complex provides insight for membrane interaction.
Structure, 20, 2012
3T1I
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BU of 3t1i by Molmil
Crystal Structure of Human Mre11: Understanding Tumorigenic Mutations
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Double-strand break repair protein MRE11A, GLYCEROL, ...
著者Park, Y.B, Chae, J, Kim, Y, Cho, Y.
登録日2011-07-22
公開日2011-11-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human mre11: understanding tumorigenic mutations
Structure, 19, 2011
4N1P
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BU of 4n1p by Molmil
Structure of Cyclophilin A in complex with Picolinamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
4YH4
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BU of 4yh4 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d)
分子名称: 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
3LDP
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BU of 3ldp by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with small molecule inhibitor
分子名称: 78 kDa glucose-regulated protein, 8-[(quinolin-2-ylmethyl)amino]adenosine
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
4COS
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BU of 4cos by Molmil
Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1
分子名称: 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION
著者Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P.
登録日2014-01-30
公開日2014-03-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin.
Cell Rep, 17, 2016
1TYQ
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BU of 1tyq by Molmil
Crystal structure of Arp2/3 complex with bound ATP and calcium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related Protein 2, Actin-related protein 3, ...
著者Nolen, B.J, Littlefield, R.S, Pollard, T.D.
登録日2004-07-08
公開日2004-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures of actin-related protein 2/3 complex with bound ATP or ADP
Proc.Natl.Acad.Sci.Usa, 101, 2004
3I8C
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BU of 3i8c by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR21A
分子名称: DNA damage-binding protein 1, WD repeat-containing protein 21A
著者Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
登録日2009-07-09
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
4CI1
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BU of 4ci1 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to thalidomide
分子名称: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Thalidomide, ...
著者Fischer, E.S, Boehm, K, Thoma, N.H.
登録日2013-12-05
公開日2014-07-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
4N1S
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BU of 4n1s by Molmil
Structure of Cyclophilin A in complex with benzohydrazide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, benzohydrazide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
4YOC
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BU of 4yoc by Molmil
Crystal Structure of human DNMT1 and USP7/HAUSP complex
分子名称: DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Cheng, J, Yang, H, Fang, J, Gong, R, Wang, P, Li, Z, Xu, Y.
登録日2015-03-11
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.916 Å)
主引用文献Molecular mechanism for USP7-mediated DNMT1 stabilization by acetylation.
Nat Commun, 6, 2015
4YPC
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BU of 4ypc by Molmil
Trimeric crystal structure of vimentin coil1B fragment
分子名称: Vimentin
著者Chernyatina, A.A, Strelkov, S.V.
登録日2015-03-12
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献How to Study Intermediate Filaments in Atomic Detail.
Meth. Enzymol., 568, 2016
4YUI
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BU of 4yui by Molmil
Multiconformer synchrotron model of CypA at 180 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
登録日2015-03-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
3J0S
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BU of 3j0s by Molmil
Remodeling of actin filaments by ADF cofilin proteins
分子名称: Actin, cytoplasmic 1, Cofilin-2
著者Galkin, V.E, Orlova, A, Kudryashov, D.S, Solodukhin, A, Reisler, E, Schroeder, G.F, Egelman, E.H.
登録日2011-11-24
公開日2011-12-21
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Remodeling of actin filaments by ADF/cofilin proteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
4O63
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BU of 4o63 by Molmil
Co-enzyme Induced Conformational Changes in Bovine Eye Glyceraldehyde 3-Phosphate Dehydrogenase
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baker, B.Y, Shi, W, Wang, B, Palczewski, K.
登録日2013-12-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules.
Protein Sci., 23, 2014
4O3M
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BU of 4o3m by Molmil
Ternary complex of Bloom's syndrome helicase
分子名称: 1,2-ETHANEDIOL, 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP*CP*AP*AP*G)-3', 5'-D(*CP*TP*TP*GP*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*TP*CP*CP*CP*TP*TP*A)-3', ...
著者Swan, M.K, Bertrand, J.
登録日2013-12-18
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human Bloom's syndrome helicase in complex with ADP and duplex DNA.
Acta Crystallogr.,Sect.D, 70, 2014
3QQ7
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BU of 3qq7 by Molmil
Crystal Structure of the p97 N-terminal domain
分子名称: CHLORIDE ION, COBALT (II) ION, GLYCEROL, ...
著者Haenzelmann, P, Schindelin, H.
登録日2011-02-15
公開日2011-06-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
4ZTR
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BU of 4ztr by Molmil
Human Aurora A catalytic domain bound to FK1141
分子名称: 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid, Aurora kinase A
著者Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L.
登録日2015-05-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
3IVB
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BU of 3ivb by Molmil
Structures of SPOP-Substrate Complexes: Insights into Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-MacroH2ASBCpep1
分子名称: CHLORIDE ION, Core histone macro-H2A.1, Speckle-type POZ protein, ...
著者Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S.
登録日2009-08-31
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure 9
To be Published
4O70
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BU of 4o70 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB
分子名称: 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7F
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BU of 4o7f by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527
分子名称: 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ...
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7C
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BU of 4o7c by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R
分子名称: 1,2-ETHANEDIOL, 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O72
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Crystal structure of the first bromodomain of human BRD4 in complex with NU7441
分子名称: 1,2-ETHANEDIOL, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, Bromodomain-containing protein 4, ...
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
分子名称: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Li, Y, Chen, Z, Eigenbrot, C.
登録日2015-05-18
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
3QBN
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Structure of Human Aurora A in Complex with a diaminopyrimidine
分子名称: 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase 6
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2011-01-13
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Acs Chem.Biol., 6, 2011

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