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PDB: 4186 件

5EK9
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Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor
分子名称: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
著者Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-11-03
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
5ENE
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening)
分子名称: 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENJ
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
2VIG
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Crystal structure of human short-chain acyl CoA dehydrogenase
分子名称: 1,2-ETHANEDIOL, COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Pike, A.C.W, Pantic, N, Parizotto, E, Gileadi, O, Ugochukwu, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Oppermann, U.
登録日2007-11-30
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Short-Chain Acyl Coa Dehydrogenase
To be Published
2VZ5
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Structure of the PDZ domain of Tax1 (human T-cell leukemia virus type I) binding protein 3
分子名称: CHLORIDE ION, IMIDAZOLE, TAX1-BINDING PROTEIN 3, ...
著者Murray, J.W, Shafqat, N, Yue, W, Pilka, E, Johannsson, C, Salah, E, Cooper, C, Elkins, J.M, Pike, A.C, Roos, A, Filippakopoulos, P, von Delft, F, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Oppermann, U.
登録日2008-07-30
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献The Structure of the Pdz Domain of Tax1BP
To be Published
2W7T
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Trypanosoma brucei CTPS - glutaminase domain with bound acivicin
分子名称: CHLORIDE ION, PUTATIVE CYTIDINE TRIPHOSPHATE SYNTHASE
著者Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-12-30
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trypanosoma Brucei Ctps - Glutaminase Domain with Bound Acivicin
To be Published
2W4L
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Human dCMP deaminase
分子名称: CHLORIDE ION, DEOXYCYTIDYLATE DEAMINASE, ZINC ION
著者Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schuler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Nordlund, P.
登録日2008-11-28
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of Human Dcmp Deaminase
To be Published
2VRF
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CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN
分子名称: 1,2-ETHANEDIOL, BETA-2-SYNTROPHIN
著者Sun, Z, Roos, A.K, Pike, A.C.W, Pilka, E.S, Cooper, C, Elkins, J.M, Murray, J, Arrowsmith, C.H, Doyle, D, Edwards, A, von Delft, F, Bountra, C, Oppermann, U.
登録日2008-03-31
公開日2008-04-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain
To be Published
2VSV
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Crystal structure of the PDZ domain of human rhophilin-2
分子名称: RHOPHILIN-2
著者Pike, A.C.W, Kochan, G, Sun, Z, Shafqat, N, Pilka, E.S, Roos, A, Elkins, J, Burgess-Brown, N, Murray, J.W, von Delft, F, Wikstrom, M, Edwards, A, Arrowsmith, C.H, Bountra, C, Oppermann, U.
登録日2008-04-29
公開日2008-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structure of the Pdz Domain of Human Rhophilin-2
To be Published
2VPI
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Human GMP synthetase - glutaminase domain
分子名称: GMP SYNTHASE
著者Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Der Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human Gmp Synthetase - Glutaminase Domain
To be Published
2VSW
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The structure of the rhodanese domain of the human dual specificity phosphatase 16
分子名称: DUAL SPECIFICITY PROTEIN PHOSPHATASE 16
著者Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S.
登録日2008-04-30
公開日2008-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published
2VPH
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Crystal structure of the human protein tyrosine phosphatase, non- receptor type 4, PDZ domain
分子名称: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 4
著者Roos, A.K, Wang, J, Burgess-Brown, N, Elkins, J.M, Kavanagh, K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Bountra, C, Knapp, S.
登録日2008-02-29
公開日2008-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human Protein Tyrosine Phosphatase, Non-Receptor Type 4, Pdz Domain
To be Published
2VPK
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Crystal structure of the BTB domain of human myoneurin
分子名称: MYONEURIN
著者Cooper, C.D.O, Murray, J.W, Bullock, A, Pike, A.C.W, von Delft, F, Filippakopoulos, P, Salah, E, Edwards, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Knapp, S.
登録日2008-02-29
公開日2008-03-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Btb Domain of Human Myoneurin
To be Published
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
2WEF
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Human 3'(2'), 5'-bisphosphate nucleotidase 1 (BPNT1) in complex with AMP, PO4 and Magnesium
分子名称: 3'(2'), 5'-BISPHOSPHATE NUCLEOTIDASE 1, ADENOSINE MONOPHOSPHATE, ...
著者Moche, M, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-03-30
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human 3'(2'), 5'-Bisphosphate Nucleotidase 1 (Bpnt1) in Complex with AMP, Po4 and Magnesium
To be Published
2WBI
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Crystal structure of human acyl-CoA dehydrogenase 11
分子名称: ACYL-COA DEHYDROGENASE FAMILY MEMBER 11, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
著者Muniz, J.R.C, Guo, K, Savitsky, P, Roos, A, Yue, W, Pilka, E, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Oppermann, U.
登録日2009-02-28
公開日2009-05-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Acyl-Coa Dehydrogenase 11
To be Published
2VKP
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Crystal structure of BTB domain from BTBD6
分子名称: 1,2-ETHANEDIOL, BTB/POZ DOMAIN-CONTAINING PROTEIN 6, POTASSIUM ION
著者Cooper, C.D.O, Pike, A.C.W, Salah, E, Filippakopoulos, P, Bunkoczi, G, Elkins, J.M, von Delft, F, Gileadi, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S.
登録日2007-12-21
公開日2008-02-12
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Btb Domain from Btbd6
To be Published
5F5C
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Crystal Structure of human JMJD2D complexed with KDOPP7
分子名称: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2VKT
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HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN
分子名称: CTP SYNTHASE 2
著者Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-12-28
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
2X8A
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Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain
分子名称: NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION
著者Moche, M, Schuetz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
登録日2010-03-08
公開日2010-03-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain
To be Published
2W0I
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Structure Of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain Of Human Twinfilin-2
分子名称: TWINFILIN-2
著者Elkins, J.M, Pike, A.C.W, Salah, E, Savitsky, P, Murray, J.W, Roos, A, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstrom, M, Bountra, C, Knapp, S.
登録日2008-08-18
公開日2008-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin- 2
To be Published
2VUX
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Human ribonucleotide reductase, subunit M2 B
分子名称: FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B
著者Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-05-31
公開日2008-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human Ribonucleotide Reductase, Subunit M2 B
To be Published
2VWR
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Crystal structure of the second pdz domain of numb-binding protein 2
分子名称: LIGAND OF NUMB PROTEIN X 2
著者Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U.
登録日2008-06-26
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
2WNT
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Crystal Structure of the Human Ribosomal protein S6 kinase
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, RIBOSOMAL PROTEIN S6 KINASE, ...
著者Muniz, J.R.C, Elkins, J.M, Wang, J, Ugochukwu, E, Salah, E, King, O, Picaud, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
登録日2009-07-20
公開日2009-08-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Human Ribosomal Protein S6 Kinase
To be Published
5F5A
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Crystal Structure of human JMJD2D complexed with KDOAM16
分子名称: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016

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