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PDB: 5000 件

3KUX
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Structure of the YPO2259 putative oxidoreductase from Yersinia pestis
分子名称: CHLORIDE ION, Putative oxidoreductase
著者Anderson, S.M, Wawrzak, Z, Gordon, E, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-11-28
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of the YPO2259 putative oxidoreductase from Yersinia pestis
To be Published
3L46
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BU of 3l46 by Molmil
Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
分子名称: Protein ECT2, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Wang, H, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-12-18
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
to be published
3KUZ
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Crystal structure of the ubiquitin like domain of PLXNC1
分子名称: Plexin-C1, UNKNOWN ATOM OR ION
著者Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-28
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ubiquitin like domain of PLXNC1
to be published
4Z31
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BU of 4z31 by Molmil
Crystal structure of the RC3H2 ROQ domain in complex with stem-loop and double-stranded forms of RNA
分子名称: CHLORIDE ION, RNA (5'-R(*A)-D(P*UP*GP*UP*UP*CP*UP*GP*UP*GP*AP*AP*CP*AP*C)-3'), Roquin-2, ...
著者DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2015-03-30
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins.
Sci Rep, 5, 2015
5HES
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BU of 5hes by Molmil
Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase MLT, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
著者Mathea, S, Salah, E, Abdul Azeez, K.R, Tallant, C, Szklarz, M, Chaikuad, A, Shrestha, B, Sorrell, F.J, Elkins, J.M, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2016-01-06
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Acs Chem.Biol., 11, 2016
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
分子名称: GLYCOGENIN-2, MAGNESIUM ION
著者Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-12-17
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
3KUQ
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BU of 3kuq by Molmil
Crystal structure of the DLC1 RhoGAP domain
分子名称: Rho GTPase-activating protein 7, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tempel, W, Tong, Y, MacKenzie, F, Shen, L, Zhong, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the DLC1 RhoGAP domain
to be published
5GXI
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BU of 5gxi by Molmil
Structure of the Gemin5 WD40 domain in complex with AAUUUUUGAG
分子名称: Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*GP*AP*G)-3'), UNKNOWN ATOM OR ION
著者Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-18
公開日2016-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
4TVR
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BU of 4tvr by Molmil
Tandem Tudor and PHD domains of UHRF2
分子名称: E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION
著者Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
分子名称: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
7N27
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BU of 7n27 by Molmil
Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
分子名称: Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ...
著者Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2021-05-28
公開日2021-07-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
3UXG
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BU of 3uxg by Molmil
Crystal structure of RFXANK
分子名称: DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION
著者Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2011-12-05
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-02-14
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
6R7O
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BU of 6r7o by Molmil
Crystal structure of the central region of human cohesin subunit STAG1
分子名称: Cohesin subunit SA-1
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-03-29
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
8PTT
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BU of 8ptt by Molmil
Human NUDT5 in complex with MRK-952
分子名称: 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION
著者Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M.
登録日2023-07-14
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human NUDT5 in complex with MRK-952
To Be Published
7OZX
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BU of 7ozx by Molmil
Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
分子名称: (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2021-06-29
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
To Be Published
6QY9
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BU of 6qy9 by Molmil
Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ...
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
To Be Published
3C6M
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BU of 3c6m by Molmil
Crystal structure of human spermine synthase in complex with spermine and 5-methylthioadenosine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermine synthase
著者Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Pegg, A.E, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-02-04
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
J.Biol.Chem., 283, 2008
3C6K
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BU of 3c6k by Molmil
Crystal structure of human spermine synthase in complex with spermidine and 5-methylthioadenosine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, Spermine synthase
著者Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Pegg, A.E, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-02-04
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
J.Biol.Chem., 283, 2008
3CXW
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BU of 3cxw by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I
分子名称: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
5VT1
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BU of 5vt1 by Molmil
Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor
分子名称: 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION
著者Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC)
登録日2017-05-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
3UVW
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BU of 3uvw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K5acK8ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UW9
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Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K8acK12ac)
分子名称: Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac)
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-12-01
公開日2012-03-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3CKD
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Crystal structure of the C-terminal domain of the Shigella type III effector IpaH
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Invasion plasmid antigen, ...
著者Lam, R, Singer, A.U, Cuff, M.E, Skarina, T, Kagan, O, DiLeo, R, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-03-14
公開日2008-03-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Shigella T3SS effector IpaH defines a new class of E3 ubiquitin ligases.
Nat.Struct.Mol.Biol., 15, 2008

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