1T4V
 
 | | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | | 分子名称: | Hirudin IIIA, N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE, Prothrombin | | 著者 | Spurlino, J. | | 登録日 | 2004-04-30 | | 公開日 | 2005-03-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis
BIOORG.MED.CHEM.LETT., 14, 2004
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | 分子名称: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | 著者 | Spurlino, J, Milligan, C. | | 登録日 | 2020-02-12 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | | 主引用文献 | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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1T4U
 | | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | | 分子名称: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | | 著者 | Spurlino, J. | | 登録日 | 2004-04-30 | | 公開日 | 2005-03-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis
BIOORG.MED.CHEM.LETT., 14, 2004
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2R2M
 | | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | | 分子名称: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | | 著者 | Spurlino, J. | | 登録日 | 2007-08-27 | | 公開日 | 2008-08-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | 分子名称: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4EO4
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with seryl sulfamoyl adenylate | | 分子名称: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Threonine--tRNA ligase, mitochondrial, ... | | 著者 | Peterson, K.M, Ling, J, Simonovic, I, Soll, D, Simonovic, M. | | 登録日 | 2012-04-13 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | The mechanism of pre-transfer editing in yeast mitochondrial threonyl-tRNA synthetase.
J.Biol.Chem., 287, 2012
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3DM6
 | | Beta-secretase 1 complexed with statine-based inhibitor | | 分子名称: | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL | | 著者 | Lindberg, J, Borkakoti, N, Nystrom, S. | | 登録日 | 2008-06-30 | | 公開日 | 2008-12-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Bioorg.Med.Chem., 16, 2008
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4DPI
 | | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | | 分子名称: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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5UFO
 | | Structure of RORgt bound to | | 分子名称: | (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | | 著者 | Spurlino, J. | | 登録日 | 2017-01-05 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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5UHI
 | | Structure of RORgt bound to | | 分子名称: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma | | 著者 | Spurlino, J, Abad, M. | | 登録日 | 2017-01-11 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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5UFR
 | | Structure of RORgt bound to | | 分子名称: | (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma | | 著者 | Spurlino, J, Abad, M. | | 登録日 | 2017-01-05 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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1G35
 | | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | | 分子名称: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | | 著者 | Lindberg, J, Unge, T. | | 登録日 | 2000-10-23 | | 公開日 | 2001-06-06 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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1G2K
 | | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | | 分子名称: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | | 著者 | Lindberg, J, Unge, T. | | 登録日 | 2000-10-20 | | 公開日 | 2001-06-01 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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3UH0
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with threonyl sulfamoyl adenylate | | 分子名称: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, SULFATE ION, Threonyl-tRNA synthetase, ... | | 著者 | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | | 登録日 | 2011-11-03 | | 公開日 | 2012-02-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UGQ
 | | Crystal structure of the apo form of the yeast mitochondrial threonyl-tRNA synthetase determined at 2.1 Angstrom resolution | | 分子名称: | POTASSIUM ION, SULFATE ION, Threonyl-tRNA synthetase, ... | | 著者 | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | | 登録日 | 2011-11-02 | | 公開日 | 2012-02-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2RDL
 | | Hamster Chymase 2 | | 分子名称: | Chymase 2, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION | | 著者 | Spurlino, J, Abad, M, Kervinen, J. | | 登録日 | 2007-09-24 | | 公開日 | 2007-10-30 | | 最終更新日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for elastolytic substrate specificity in rodent alpha-chymases.
J.Biol.Chem., 283, 2008
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6W24
 | | ClpA Engaged2 State bound to RepA-GFP (Focused Classification) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | | 著者 | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
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4W2E
 | | Crystal structure of Elongation Factor 4 (EF4/LepA) bound to the Thermus thermophilus 70S ribosome | | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Gagnon, M.G, Lin, J, Steitz, T.A. | | 登録日 | 2014-06-04 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of elongation factor 4 bound to a clockwise ratcheted ribosome.
Science, 345, 2014
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6JXR
 | | Structure of human T cell receptor-CD3 complex | | 分子名称: | T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ... | | 著者 | Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z. | | 登録日 | 2019-04-24 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural basis of assembly of the human T cell receptor-CD3 complex.
Nature, 573, 2019
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6JHT
 | | The cryo-EM structure of HAV bound to a neutralizing antibody-F9 | | 分子名称: | FAB Heavy Chain, FAB Light Chain, VP1, ... | | 著者 | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | | 登録日 | 2019-02-19 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.79 Å) | | 主引用文献 | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
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4TXS
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | (4-hydroxyphenyl)acetonitrile, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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6JHQ
 | | The cryo-EM structure of HAV bound to a neutralizing antibody-F4 | | 分子名称: | FAB Heavy Chain, FAB Light Chain, VP1, ... | | 著者 | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | | 登録日 | 2019-02-18 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
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4TY8
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | 分子名称: | 6-methyl-2H-chromen-2-one, Polyprotein | | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | 登録日 | 2014-07-08 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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6JHS
 | | The cryo-EM structure of HAV bound to a neutralizing antibody-F7 | | 分子名称: | FAB Heavy Chain, FAB Light Chain, VP1, ... | | 著者 | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | | 登録日 | 2019-02-19 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
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4V0J
 | | The channel-block Ser202Glu, Thr104Lys double mutant of Stearoyl-ACP- Desaturase from Castor bean (Ricinus communis) | | 分子名称: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, CHLOROPLASTIC, FE (II) ION, ... | | 著者 | Moche, M, Guy, J, Whittle, E, Lindqvist, Y, Shanklin, J. | | 登録日 | 2014-09-17 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Half-of-the-Sites Reactivity of the Castor Delta9-18:0-Acp Desaturase.
Plant Physiol., 169, 2015
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