7Y9G
 
 | | Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-24 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
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7BL9
 | | BAZ2A bromodomain in complex with GSK2801 chemical probe | | 分子名称: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | 登録日 | 2021-01-18 | | 公開日 | 2022-03-02 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Reevaluation of bromodomain ligands targeting BAZ2A.
Protein Sci., 32, 2023
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7BLL
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7BNE
 | | Notum Nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2021-01-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Notum Inhibitor
To Be Published
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5FNG
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-11-15 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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3LZM
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7BMD
 | | Notum TDZD8 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2021-01-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Notum Inhibitor TDZD8
To Be Published
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2A41
 | | Ternary complex of the WH2 Domain of WIP with Actin-DNAse I | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Chereau, D, Kerff, F, Dominguez, R. | | 登録日 | 2005-06-27 | | 公開日 | 2005-11-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6TCK
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | | 著者 | Welin, M, Kimbung, R, Focht, D. | | 登録日 | 2019-11-06 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
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4MQP
 | | Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole | | 分子名称: | (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | 著者 | Finzel, B.C, Dai, R. | | 登録日 | 2013-09-16 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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6TCY
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7BN1
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6HPW
 | | Crystal structure of ENL (MLLT1) in complex with compound 20 | | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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4MLJ
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6T7G
 | | Bacteroides salyersiae GH164 beta-mannosidase in complex with mannoimidazole | | 分子名称: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Armstrong, Z, Davies, G. | | 登録日 | 2019-10-21 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164.
J.Biol.Chem., 295, 2020
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2WLQ
 | | Nucleophile-disabled Lam16A mutant holds laminariheptaose (L7) in a cyclical conformation | | 分子名称: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H, Hansson, H, Engstrom, A, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | | 登録日 | 2009-06-24 | | 公開日 | 2010-01-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
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6EKJ
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7YK5
 | | Rubisco from Phaeodactylum tricornutum bound to PYCO1(452-592) | | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, Multifunctional fusion protein, PYCO1 LSU binding motif, ... | | 著者 | Oh, Z.G, Ang, W.S.L, Bhushan, S, Mueller-Cajar, O. | | 登録日 | 2022-07-21 | | 公開日 | 2023-06-21 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | A linker protein from a red-type pyrenoid phase separates with Rubisco via oligomerizing sticker motifs.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4XUB
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-01-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
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9HU9
 | | Glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system. Complex with UDP-GlcNAc. | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, GLYCEROL, ... | | 著者 | Pfalzgraf, H.E, Griffiths, R, Juge, N, Hemmings, A.M. | | 登録日 | 2024-12-21 | | 公開日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system
To Be Published
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3MB3
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) | | 分子名称: | 1-methylpyrrolidin-2-one, PH-interacting protein | | 著者 | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2010-03-25 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3MB7
 | | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid | | 著者 | Reiser, J.-B, Prudent, R, Cochet, C. | | 登録日 | 2010-03-25 | | 公開日 | 2010-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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4N16
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5ISU
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7V29
 | | Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor | | 分子名称: | Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION | | 著者 | Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H. | | 登録日 | 2021-08-07 | | 公開日 | 2022-03-30 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | | 主引用文献 | Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
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