4BZT
 
 | | The Solution Structure of the MLN 944-d(ATGCAT)2 Complex | | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | | 登録日 | 2013-07-30 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
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1XWN
 | | solution structure of cyclophilin like 1(PPIL1) and insights into its interaction with SKIP | | 分子名称: | Peptidyl-prolyl cis-trans isomerase like 1 | | 著者 | Xu, C, Xu, Y, Tang, Y, Wu, J, Shi, Y, Huang, Q, Zhang, Q. | | 登録日 | 2004-11-01 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human peptidyl prolyl isomerase like protein 1 and insights into its interaction with SKIP
J.Biol.Chem., 281, 2006
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4R7U
 | | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin | | 分子名称: | SODIUM ION, TETRAETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | 著者 | Nocek, B, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-08-28 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin
To be Published
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1Q7R
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4MCB
 | | H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | | 分子名称: | ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ... | | 著者 | Olivier, N.B, Hill, P. | | 登録日 | 2013-08-21 | | 公開日 | 2013-09-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
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3MLR
 | | Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a NY5 V3 peptide | | 分子名称: | HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain | | 著者 | Kong, X.-P. | | 登録日 | 2010-04-18 | | 公開日 | 2010-07-14 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
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6L4P
 | | Crystal structure of the complex between the axonemal outer-arm dynein light chain-1 and microtubule binding domain of gamma heavy chain | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dynein light chain 1, axonemal, ... | | 著者 | Toda, A, Nishikawa, Y, Tanaka, H, Yagi, T, Kurisu, G. | | 登録日 | 2019-10-19 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | | 主引用文献 | The complex of outer-arm dynein light chain-1 and the microtubule-binding domain of the gamma heavy chain shows how axonemal dynein tunes ciliary beating.
J.Biol.Chem., 295, 2020
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6N3U
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3IIC
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1DIE
 | | OBSERVATIONS OF REACTION INTERMEDIATES AND THE MECHANISM OF ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE | | 分子名称: | 1-DEOXYNOJIRIMYCIN, D-XYLOSE ISOMERASE, MAGNESIUM ION | | 著者 | Collyer, C.A, Viehmann, H, Goldberg, J.D, Blow, D.M. | | 登録日 | 1992-06-04 | | 公開日 | 1993-07-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Observations of reaction intermediates and the mechanism of aldose-ketose interconversion by D-xylose isomerase.
Proc.Natl.Acad.Sci.USA, 87, 1990
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4OCQ
 | | N-acetylhexosamine 1-phosphate kinase in complex with GalNAc | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase | | 著者 | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | | 登録日 | 2014-01-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
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4AVX
 | | Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | | 分子名称: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | | 著者 | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | | 登録日 | 2012-05-30 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution
To be Published
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7LE5
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass9 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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3HBK
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7LEI
 | | HIV-1 Protease WT (NL4-3) in Complex with PU10 (LR4-07) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LDY
 | | HIV-1 Protease WT (NL4-3) in Complex with TMC-126 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LE2
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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3IIT
 | | Factor XA in complex with a cis-1,2-diaminocyclohexane derivative | | 分子名称: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ... | | 著者 | Suzuki, M. | | 登録日 | 2009-08-03 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
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5ZR3
 | | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | | 分子名称: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | | 著者 | Uno, T, Chong, K.T, Suzuki, T. | | 登録日 | 2018-04-23 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
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1UOK
 | | CRYSTAL STRUCTURE OF B. CEREUS OLIGO-1,6-GLUCOSIDASE | | 分子名称: | OLIGO-1,6-GLUCOSIDASE | | 著者 | Watanabe, K, Hata, Y, Kizaki, H, Katsube, Y, Suzuki, Y. | | 登録日 | 1998-07-28 | | 公開日 | 1999-02-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The refined crystal structure of Bacillus cereus oligo-1,6-glucosidase at 2.0 A resolution: structural characterization of proline-substitution sites for protein thermostabilization.
J.Mol.Biol., 269, 1997
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5T4A
 | | Crystal structure of BhGH81 in complex with laminaro-hexaose | | 分子名称: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | | 著者 | Pluvinage, B, Boraston, A.B. | | 登録日 | 2016-08-29 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
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6K0M
 | | Catalytic domain of GH87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11 | | 分子名称: | Alpha-1,3-glucanase, CALCIUM ION, GLYCEROL, ... | | 著者 | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | | 登録日 | 2019-05-07 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
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3FGV
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3IVI
 | | Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ... | | 著者 | Pan, H. | | 登録日 | 2009-09-01 | | 公開日 | 2010-01-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
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2PNQ
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