4QEL
 
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant H70A | | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | 著者 | Andrews, F.H, Rogers, M.P, Brodkin, H.R, McLeish, M.J. | | 登録日 | 2014-05-16 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | | 主引用文献 | Structural investigation of benzoylformate decarboxylase active site variants
To be Published
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3TYQ
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3TZ9
 | | Kinase domain of cSrc in complex with RL130 | | 分子名称: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Gruetter, C, Richters, A, Rauh, D. | | 登録日 | 2011-09-27 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
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5PRC
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (ATRAZINE COMPLEX) | | 分子名称: | 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | | 著者 | Lancaster, C.R.D, Michel, H. | | 登録日 | 1997-08-01 | | 公開日 | 1999-04-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.
J.Mol.Biol., 286, 1999
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2WXP
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with GDC-0941. | | 分子名称: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | 著者 | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | 登録日 | 2009-11-09 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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6DIA
 | | DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | | 分子名称: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.969 Å) | | 主引用文献 | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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8CKF
 | | Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | | 分子名称: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | 著者 | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | | 登録日 | 2023-02-15 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
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7XOA
 | | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with one mouse ACE2 Bound | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | 著者 | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | | 登録日 | 2022-05-01 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins.
Cell Res., 32, 2022
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2ZX8
 | | alpha-L-fucosidase complexed with inhibitor, F10-2C-O | | 分子名称: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide | | 著者 | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | | 登録日 | 2008-12-19 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
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5SUF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H03 from the F2X-Universal Library | | 分子名称: | 1-benzyl-1H-pyrazole-4-carboxylic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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4F3M
 | | Crystal structure of CRISPR-associated protein | | 分子名称: | 1,2-ETHANEDIOL, BH0337 protein, SULFATE ION | | 著者 | Ke, A, Nam, K.H. | | 登録日 | 2012-05-09 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Cas5d Protein Processes Pre-crRNA and Assembles into a Cascade-like Interference Complex in Subtype I-C/Dvulg CRISPR-Cas System.
Structure, 20, 2012
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2WXG
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW13. | | 分子名称: | 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | 著者 | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | 登録日 | 2009-11-09 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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7XO8
 | | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with three human ACE2 Bound | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | | 登録日 | 2022-05-01 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | | 主引用文献 | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins.
Cell Res., 32, 2022
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6SI1
 | | p53 cancer mutant Y220H | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | | 著者 | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-08 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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7XIG
 | | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermine | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Polyamine aminopropyltransferase, ... | | 著者 | Mizohata, E, Yasuda, Y. | | 登録日 | 2022-04-13 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
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5STC
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F09 from the F2X-Universal Library | | 分子名称: | 1-(2-chloroethyl)-1H-imidazole, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7HGJ
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z751811134 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-dimethylpyridine-3-sulfonamide, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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1N1S
 | | Trypanosoma rangeli sialidase | | 分子名称: | SULFATE ION, Sialidase | | 著者 | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | | 登録日 | 2002-10-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T. cruzi
trans-sialidase
J.Mol.Biol., 325, 2003
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7XOB
 | | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with two mouse ACE2 Bound | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | 著者 | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | | 登録日 | 2022-05-01 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins.
Cell Res., 32, 2022
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1N2M
 | | The S53A Proenzyme Structure of Methanococcus jannaschii. | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Pyruvoyl-dependent arginine decarboxylase | | 著者 | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | | 登録日 | 2002-10-23 | | 公開日 | 2003-03-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
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5FBB
 | | S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | 著者 | Koval, T, Oestergaard, L.H, Dohnalek, J. | | 登録日 | 2015-12-14 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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1H72
 | | CRYSTAL STRUCTURE OF HOMOSERINE KINASE COMPLEXED WITH HSE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HOMOSERINE KINASE, L-HOMOSERINE, ... | | 著者 | Krishna, S.S, Zhou, T, Daugherty, M, Osterman, A.L, Zhang, H. | | 登録日 | 2001-07-02 | | 公開日 | 2001-09-13 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for the Catalysis and Substrate Specificity of Homoserine Kinase
Biochemistry, 40, 2001
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4MYQ
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4Y9V
 | | Gp54 tailspike of Acinetobacter baumannii bacteriophage AP22 in complex with A. baumannii capsular saccharide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-alpha-D-fucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-mannopyranuronic acid, CHLORIDE ION, ... | | 著者 | Buth, S.A, Shneider, M.M, Leiman, P.G. | | 登録日 | 2015-02-17 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Structure of Acinetobacter baumannii bacteriophage AP22 polysaccharide degrading lyase in complex with A. baumannii capsular saccharide at 0.9 A resolution
TO BE PUBLISHED
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5CGP
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