5I4U
 
 | | The crystal structure of PI3Kdelta with compound 34 | | 分子名称: | 2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Somoza, J.R, Villasenor, A.G. | | 登録日 | 2016-02-12 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.372 Å) | | 主引用文献 | The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[delta] Inhibitors
To be published
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3TXB
 | | HEWL co-crystallization with cisplatin in aqueous media with glycerol as the cryoprotectant | | 分子名称: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | | 登録日 | 2011-09-23 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
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3TXJ
 | | HEWL co-crystallization with NAG with silicone oil as the cryoprotectant | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | | 登録日 | 2011-09-23 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
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5IDD
 | | Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Helliwell, J.R. | | 登録日 | 2016-02-24 | | 公開日 | 2016-05-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn., 3, 2016
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4NKE
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | 分子名称: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | | 登録日 | 2013-11-12 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
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1QFE
 | | THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI | | 分子名称: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, PROTEIN (3-DEHYDROQUINATE DEHYDRATASE) | | 著者 | Shrive, A.K, Polikarpov, I, Sawyer, L, Coggins, J.R, Hawkins, A.R. | | 登録日 | 1999-04-05 | | 公開日 | 2000-04-05 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The two types of 3-dehydroquinase have distinct structures but catalyze the same overall reaction.
Nat.Struct.Biol., 6, 1999
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2R2P
 | | Kinase domain of human ephrin type-A receptor 5 (EphA5) | | 分子名称: | CHLORIDE ION, Ephrin type-A receptor 5, SULFATE ION | | 著者 | Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-08-27 | | 公開日 | 2007-09-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Kinase Domain of Human Ephrin Type-A Receptor 5 (EphA5).
To be Published
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3TXH
 | | HEWL co-crystallization with carboplatin in DMSO media with glycerol as the cryoprotectant | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | | 登録日 | 2011-09-23 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
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4NSI
 | | Carboplatin binding to HEWL in 20% propanol, 20% PEG 4000 at pH5.6 | | 分子名称: | CITRATE ANION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | 登録日 | 2013-11-28 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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2QON
 | | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:Y742A triple mutant | | 分子名称: | Ephrin receptor, GLYCEROL | | 著者 | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-07-20 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOD
 | | Human EphA3 kinase and juxtamembrane region, Y602F mutant | | 分子名称: | Ephrin receptor | | 著者 | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-07-20 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QQB
 | | Crystal Structure of DtxR(M10A C102D) Complexed with Nickel(II) | | 分子名称: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | | 著者 | D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D. | | 登録日 | 2007-07-26 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR.
Biochemistry, 46, 2007
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3UA5
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4NRC
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | | 著者 | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-11-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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4NSG
 | | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A | | 分子名称: | ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | 登録日 | 2013-11-28 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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1IMS
 | | MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG) | | 分子名称: | 4'-DEOXY-4'-IODODOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | | 著者 | Berger, I, Su, L, Spitzner, J.R, Kang, C, Burke, T.G, Rich, A. | | 登録日 | 1995-10-23 | | 公開日 | 1996-04-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG).
Nucleic Acids Res., 23, 1995
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4NUA
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | 分子名称: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | | 登録日 | 2013-12-03 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
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6MG1
 | | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ... | | 著者 | Horton, J.R, Cheng, X, Yang, J. | | 登録日 | 2018-09-12 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
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3TXI
 | | HEWL co-crystallization with carboplatin in DMSO media with paratone as the cryoprotectant | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | | 登録日 | 2011-09-23 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
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1IT3
 | | Hagfish CO ligand hemoglobin | | 分子名称: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | | 著者 | Mito, M, Chong, K.T, Park, S.-Y, Tame, J.R. | | 登録日 | 2002-01-05 | | 公開日 | 2002-01-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of deoxy- and carbonmonoxyhemoglobin F1 from the hagfish Eptatretus burgeri
J.Biol.Chem., 277, 2002
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5IBM
 | | Structure of S502P, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2 | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | | 登録日 | 2016-02-22 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
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6MBK
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ... | | 著者 | Horton, J.R, Dai, S, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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6MBL
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | | 著者 | Horton, J.R, Dai, S, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | | 主引用文献 | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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4NU5
 | | Crystal Structure of PTDH R301A | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase | | 著者 | Nair, S.K, Chekan, J.R. | | 登録日 | 2013-12-03 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
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6MBO
 | | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.591 Å) | | 主引用文献 | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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