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3ZYK
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BU of 3zyk by Molmil
Structure of CALM (PICALM) ANTH domain
分子名称: PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN
著者Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J.
登録日2011-08-23
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM.
Cell, 147, 2011
3ZMU
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BU of 3zmu by Molmil
LSD1-CoREST in complex with PKSFLV peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PKSFLV PEPTIDE, ...
著者Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A.
登録日2013-02-12
公開日2013-06-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
4TNZ
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BU of 4tnz by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
分子名称: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Martin, M.P, Noble, M.E.M.
登録日2016-08-19
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5LT3
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BU of 5lt3 by Molmil
nucleotide-free kinesin-1 motor domain T87A mutant, P1 crystal form
分子名称: Kinesin-1 heavy chain, SULFATE ION
著者Cao, L, Gigant, B.
登録日2016-09-06
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
4O1U
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BU of 4o1u by Molmil
Crystal structure of human thymidylate synthase mutant Y202C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Pozzi, C, Mangani, S.
登録日2013-12-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
4AV1
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BU of 4av1 by Molmil
Crystal structure of the human PARP-1 DNA binding domain in complex with DNA
分子名称: 5'-D(*AP*AP*GP*TP*GP*TP*TP*GP*CP*AP*TP*TP)-3', 5'-D(*TP*AP*AP*TP*GP*CP*AP*AP*CP*AP*CP*TP)-3', POLY [ADP-RIBOSE] POLYMERASE 1, ...
著者Ali, A.A.E, Timinszky, G, Arribas-Bosacoma, R, Kozlowski, M, Hassa, P.O, Hassler, M, Ladurner, A.G, Pearl, L.H, Oliver, A.W.
登録日2012-05-23
公開日2012-06-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Zinc-Finger Domains of Parp1 Cooperate to Recognise DNA Strand-Breaks
Nat.Struct.Mol.Biol., 19, 2012
5LXM
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BU of 5lxm by Molmil
Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者McIntyre, P.J, Bayliss, R.
登録日2016-09-22
公開日2016-11-02
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A TPX2 Proteomimetic Has Enhanced Affinity for Aurora-A Due to Hydrocarbon Stapling of a Helix.
ACS Chem. Biol., 11, 2016
4GPT
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BU of 4gpt by Molmil
Crystal structure of KPT251 in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole, CHLORIDE ION, ...
著者Sun, Q, Chook, Y.M.
登録日2012-08-21
公開日2012-09-05
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells.
Leukemia, 27, 2013
4EWR
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BU of 4ewr by Molmil
X-ray structure of WDR5-SETd1a Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-27
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4TNQ
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BU of 4tnq by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dTTP complex
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-04
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO6
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BU of 4to6 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dTTP/dGTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
5NOR
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BU of 5nor by Molmil
Structure of cyclophilin A in complex with 3-methylpyridin-2-amine
分子名称: 3-methylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOY
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BU of 5noy by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzamide
分子名称: 3,4-bis(azanyl)benzamide, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
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
5NNE
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BU of 5nne by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY
著者Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2017-04-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5NOT
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BU of 5not by Molmil
Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine
分子名称: 4-chloranylpyrimidin-5-amine, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
4RLS
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BU of 4rls by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 47
分子名称: (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Eigenbrot, C, Ultsch, M.H.
登録日2014-10-17
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
5NOX
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BU of 5nox by Molmil
Structure of cyclophilin A in complex with 2-chloropyridin-3-amine
分子名称: 2-chloranylpyridin-3-amine, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
4TO1
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BU of 4to1 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZKE
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BU of 3zke by Molmil
Structure of LC8 in complex with Nek9 peptide
分子名称: DYNEIN LIGHT CHAIN 1, CYTOPLASMIC, NEK9 PROTEIN
著者Gallego, P, Velazquez-Campoy, A, Regue, L, Roig, J, Reverter, D.
登録日2013-01-22
公開日2013-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation
J.Biol.Chem., 288, 2013
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
4H1I
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BU of 4h1i by Molmil
Structure of human thymidylate synthase at low salt conditions
分子名称: SULFATE ION, Thymidylate synthase
著者Brunn, N, Dibrov, S, Hermann, T.
登録日2012-09-10
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.095 Å)
主引用文献Analysis of mRNA recognition by human thymidylate synthase.
Biosci.Rep., 34, 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
4CET
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BU of 4cet by Molmil
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution
分子名称: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
著者Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P.
登録日2013-11-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1).
FEBS J., 281, 2014

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