4E3H
 
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4BVX
 | | Crystal structure of the AIMP3-MRS N-terminal domain complex with I3C | | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, EUKARYOTIC TRANSLATION ELONGATION FACTOR 1 EPSILON-1, METHIONINE--TRNA LIGASE, ... | | 著者 | Cho, H.Y, Seo, W.W, Cho, H.J, Kang, B.S. | | 登録日 | 2013-06-29 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Assembly of Multi-tRNA Synthetase Complex Via Heterotetrameric Glutathione Transferase-Homology Domains.
J.Biol.Chem., 290, 2015
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4FCO
 | | Crystal structure of bace1 with its inhibitor | | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ... | | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | 登録日 | 2012-05-25 | | 公開日 | 2013-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
To be Published, 2012
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2B23
 | | Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | 登録日 | 2005-09-16 | | 公開日 | 2006-09-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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1TL1
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211 | | 分子名称: | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | | 著者 | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | 登録日 | 2004-06-09 | | 公開日 | 2004-12-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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4FKO
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4G5I
 | | Crystal Structure of Porcine pancreatic PlA2 in complex with DBP | | 分子名称: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | 著者 | Prasanth, G.K, Naveen, C.D, Mandal, P.K, Karthe, P, Haridas, M, Sadasivan, C. | | 登録日 | 2012-07-18 | | 公開日 | 2012-11-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of Porcine pancreatic PlA2 in complex with DBP
TO BE PUBLISHED
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2CXG
 | | CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE | | 分子名称: | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | | 著者 | Strokopytov, B.V, Uitdehaag, J.C.M, Ruiterkamp, R, Dijkstra, B.W. | | 登録日 | 1998-05-08 | | 公開日 | 1998-10-14 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-ray structure of cyclodextrin glycosyltransferase complexed with acarbose. Implications for the catalytic mechanism of glycosidases.
Biochemistry, 34, 1995
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5SIQ
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [S](N3CCN(c2nc1ccccc1nc2CC)CC3)(c4ccc(cc4)C)(=O)=O, micromolar IC50=0.226614 | | 分子名称: | 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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7SVM
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVO
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVN
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SZU
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5STL
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A02 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide, 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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5SVR
 | | Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, MAGNESIUM ION, ... | | 著者 | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | 登録日 | 2016-08-07 | | 公開日 | 2016-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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5T4V
 | | Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ... | | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-08-30 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
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4HN4
 | | Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site | | 分子名称: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ... | | 著者 | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2012-10-18 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
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2NNV
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4HMA
 | | Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | | 分子名称: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | | 登録日 | 2012-10-18 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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5T8H
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2NN7
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2DEF
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5U3R
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 2 | | 分子名称: | 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U41
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | | 分子名称: | 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4H2E
 | | Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains | | 分子名称: | ACETATE ION, BICINE, CALCIUM ION, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | 登録日 | 2012-09-12 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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