5XMU
 
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS363 | | 分子名称: | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | 登録日 | 2017-05-16 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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5XMT
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS380 | | 分子名称: | (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | 登録日 | 2017-05-16 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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4YNC
 | | OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE | | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ... | | 著者 | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | | 登録日 | 2015-03-09 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | | 主引用文献 | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
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4YIL
 | | OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE | | 分子名称: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ... | | 著者 | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | | 登録日 | 2015-03-02 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | | 主引用文献 | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
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1QNK
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2FME
 | | Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide | | 分子名称: | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | 著者 | Sheriff, S. | | 登録日 | 2006-01-09 | | 公開日 | 2006-04-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibitors of human mitotic kinesin Eg5: Characterization of the 4-phenyl-tetrahydroisoquinoline lead series
Bioorg.Med.Chem.Lett., 16, 2006
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6UOG
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6UOD
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6UOH
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7PUO
 | | Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions | | 分子名称: | 2-hydroxymuconate tautomerase,Chains: A,B,C,D,E,F,2-hydroxymuconate tautomerase, CHLORIDE ION, GLYCEROL | | 著者 | Rozeboom, H.J, Thunnissen, A.M.W.H, Poelarends, G.J. | | 登録日 | 2021-09-30 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis by an Oligomeric C-C Bond-Forming Enzyme.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6V3V
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4E96
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1 | | 分子名称: | 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC) | | 登録日 | 2012-03-20 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012
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6VJO
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6VAS
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2IUN
 | | Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (P21 crystal form) | | 分子名称: | AVIAN ADENOVIRUS CELO LONG FIBRE, CALCIUM ION | | 著者 | Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J. | | 登録日 | 2006-06-06 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007
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5DWU
 | | Beta common receptor in complex with a Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, Fab - Heavy Chain, ... | | 著者 | Dhagat, U, Parker, M.W. | | 登録日 | 2015-09-23 | | 公開日 | 2015-12-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.97 Å) | | 主引用文献 | CSL311, a novel, potent, therapeutic monoclonal antibody for the treatment of diseases mediated by the common beta chain of the IL-3, GM-CSF and IL-5 receptors.
Mabs, 8, 2016
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6X45
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5EML
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2IUM
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5EMK
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5EMJ
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6Y0K
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5FPV
 | | Crystal structure of human JMJD2A in complex with compound KDOAM20A | | 分子名称: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ... | | 著者 | Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | 登録日 | 2015-12-03 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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5FUN
 | | Crystal structure of human JARID1B in complex with GSK467 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | 登録日 | 2016-01-28 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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5FUP
 | | Crystal structure of human JARID1B in complex with 2-oxoglutarate. | | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | 登録日 | 2016-01-28 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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