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4PQO
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Structure of the human SNX14 PX domain in space group I41
分子名称: Sorting nexin-14
著者Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
5IG6
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BU of 5ig6 by Molmil
Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3
分子名称: 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Tripathi, S.K, Padmanabhan, B.
登録日2016-02-27
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
4PJ7
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BU of 4pj7 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
5IIJ
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BU of 5iij by Molmil
Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ...
著者Burak, M.J, Guja, K.E, Garcia-Diaz, M.
登録日2016-03-01
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
4PNT
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BU of 4pnt by Molmil
Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.
分子名称: 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PPP
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BU of 4ppp by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol
分子名称: 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
登録日2014-02-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.686 Å)
主引用文献Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
分子名称: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
著者Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
4PVR
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BU of 4pvr by Molmil
Crystal structure of partially-cleaved human l-asparaginase protein in complex with l-aspartate
分子名称: ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2014-03-18
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis.
Biochemistry, 51, 2012
4PWY
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BU of 4pwy by Molmil
Crystal structure of a Calmodulin-lysine N-methyltransferase fragment
分子名称: Calmodulin-lysine N-methyltransferase, GLYCEROL, MALONATE ION, ...
著者Tempel, W, Hong, B.S, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2014-03-21
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a Calmodulin-lysine N-methyltransferase fragment
TO BE PUBLISHED
4PYJ
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BU of 4pyj by Molmil
human apo-COMT, single domain swap
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYO
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BU of 4pyo by Molmil
Humanized rat COMT bound to SAH, semi-holo form
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, POTASSIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
5ICM
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BU of 5icm by Molmil
17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-02-23
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5ICV
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BU of 5icv by Molmil
Crystal structure of human NatF (hNaa60) bound to a bisubstrate analogue
分子名称: MET-LYS-ALA-VAL-LIG, N-alpha-acetyltransferase 60, [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
著者Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
登録日2016-02-23
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
5IFW
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BU of 5ifw by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
分子名称: ADENOSINE-5'-DIPHOSPHATE, Tether containing UBX domain for GLUT4, Transitional endoplasmic reticulum ATPase
著者Roske, Y, Heinemann, U.
登録日2016-02-26
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
4PYQ
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BU of 4pyq by Molmil
Humanized rat apo-COMT in complex with a ureido-benzamidine
分子名称: 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
5III
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BU of 5iii by Molmil
Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ...
著者Burak, M.J, Guja, K.E, Garcia-Diaz, M.
登録日2016-03-01
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
5IJ7
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BU of 5ij7 by Molmil
Structure of Hs/AcPRC2 in complex with a pyridone inhibitor
分子名称: 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W.
登録日2016-03-01
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
5IIO
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BU of 5iio by Molmil
Crystal structure of the DNA polymerase lambda binary complex
分子名称: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ...
著者Burak, M.J, Guja, K.E, Garcia-Diaz, M.
登録日2016-03-01
公開日2016-08-17
最終更新日2016-09-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
5IRI
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BU of 5iri by Molmil
Structure of the mouse SAD-B AIS-KA1 fragment
分子名称: Serine/threonine-protein kinase BRSK1
著者Ma, H, Wu, J.X, Wang, J, Wu, J.W.
登録日2016-03-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and inhibition analysis of the mouse SAD-B C-terminal fragment
Biosci.Biotechnol.Biochem., 2016
4R67
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BU of 4r67 by Molmil
Human constitutive 20S proteasome in complex with carfilzomib
分子名称: N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Sacchettini, J.C, Harshbarger, W.H.
登録日2014-08-22
公開日2015-02-11
最終更新日2015-02-18
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
4R3O
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BU of 4r3o by Molmil
Human Constitutive 20S Proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Sacchettini, J.C, Harshbarger, W.H.
登録日2014-08-16
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
5NUV
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BU of 5nuv by Molmil
Structure of the WD40-domain of human ATG16L1
分子名称: (R,R)-2,3-BUTANEDIOL, Autophagy-related protein 16-1
著者Bajagic, M, Scrima, A.
登録日2017-05-02
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the WD40-domain of human ATG16L1.
Protein Sci., 26, 2017
5FFQ
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BU of 5ffq by Molmil
ChuY: An Anaerobillin Reductase from Escherichia coli O157:H7
分子名称: 1,4-BUTANEDIOL, PHOSPHATE ION, ShuY-like protein
著者LaMattina, J.W, Reedy, A.N, Uy, K.G, Lanzilotta, W.N.
登録日2015-12-18
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Radical new paradigm for heme degradation in Escherichia coli O157:H7.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3M5B
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BU of 3m5b by Molmil
Crystal structure of the BTB domain from FAZF/ZBTB32
分子名称: Zinc finger and BTB domain-containing protein 32
著者Stogios, P.J, Pomroy, N.C, Prive, G.G.
登録日2010-03-12
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010

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