1AXA
 
 | | ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Hartsuck, J.A, Foundling, S, Ermolieff, J, Tang, J. | | Deposit date: | 1997-10-13 | | Release date: | 1998-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant.
Protein Sci., 7, 1998
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2CEU
 | | Despentapeptide insulin in acetic acid (pH 2) | | Descriptor: | INSULIN, SULFATE ION | | Authors: | Whittingham, J.L, Zhang, Y, Zakova, L, Dodson, E.J, Turkenburg, J.P, Brange, J, Dodson, G.G. | | Deposit date: | 2006-02-10 | | Release date: | 2006-03-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | I222 Crystal Form of Despentapeptide (B26-B30) Insulin Provides New Insights Into the Properties of Monomeric Insulin.
Acta Crystallogr.,Sect.D, 62, 2006
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2VKM
 | | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Hong, L, Tang, J, Ghosh, A.K. | | Deposit date: | 2007-12-04 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
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2PZY
 | | Structure of MK2 Complexed with Compound 76 | | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | | Deposit date: | 2007-05-18 | | Release date: | 2007-07-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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2V5Z
 | | Structure of human MAO B in complex with the selective inhibitor safinamide | | Descriptor: | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE], Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2007-07-12 | | Release date: | 2007-10-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.
J.Med.Chem., 50, 2007
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2V60
 | | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin | | Descriptor: | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2007-07-12 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs.
J.Med.Chem., 50, 2007
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2V61
 | | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin | | Descriptor: | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2007-07-13 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs.
J.Med.Chem., 50, 2007
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1FKN
 | | Structure of Beta-Secretase Complexed with Inhibitor | | Descriptor: | MEMAPSIN 2, inhibitor | | Authors: | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | | Deposit date: | 2000-08-09 | | Release date: | 2000-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor.
Science, 290, 2000
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2HYM
 | | NMR based Docking Model of the Complex between the Human Type I Interferon Receptor and Human Interferon alpha-2 | | Descriptor: | Interferon alpha-2, Soluble IFN alpha/beta receptor | | Authors: | Quadt-Akabayov, S.R, Chill, J.H, Levy, R, Kessler, N, Anglister, J. | | Deposit date: | 2006-08-07 | | Release date: | 2006-10-10 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Determination of the human type I interferon receptor binding site on human interferon-alpha2 by cross saturation and an NMR-based model of the complex
Protein Sci., 15, 2006
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1FXQ
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND A5P | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-26 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001
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1FWT
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP, E4P AND CADMIUM | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, CADMIUM ION, ERYTHOSE-4-PHOSPHATE, ... | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-24 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001
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1U6B
 | | CRYSTAL STRUCTURE OF A SELF-SPLICING GROUP I INTRON WITH BOTH EXONS | | Descriptor: | 197-MER, 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP*GP *GP*CP*C)-3', 5'-R(*CP*AP*(5MU))-3', ... | | Authors: | Adams, P.L, Stahley, M.R, Kosek, A.B, Wang, J, Strobel, S.A. | | Deposit date: | 2004-07-29 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Self-Splicing Group I Intron with Both Exons.
Nature, 430, 2004
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1NHZ
 | | Crystal Structure of the Antagonist Form of Glucocorticoid Receptor | | Descriptor: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLUCOCORTICOID RECEPTOR, HEXANE-1,6-DIOL | | Authors: | Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M. | | Deposit date: | 2002-12-20 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain:
RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
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1YOP
 | | The solution structure of Kti11p | | Descriptor: | Kti11p, ZINC ION | | Authors: | Sun, J, Zhang, J, Wu, F, Xu, C, Li, S, Zhao, W, Wu, Z, Wu, J, Zhou, C.-Z, Shi, Y. | | Deposit date: | 2005-01-28 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Kti11p from Saccharomyces cerevisiae reveals a novel zinc-binding module.
Biochemistry, 44, 2005
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1IH7
 | | High-Resolution Structure of Apo RB69 DNA Polymerase | | Descriptor: | DNA POLYMERASE, GUANOSINE, POTASSIUM ION | | Authors: | Franklin, M.C, Wang, J, Steitz, T.A. | | Deposit date: | 2001-04-18 | | Release date: | 2001-06-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of the Replicating Complex of a Pol alpha Family DNA Polymerase
Cell(Cambridge,Mass.), 105, 2001
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1ZHA
 | | A. aeolicus KDO8PS R106G mutant in complex with PEP and R5P | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | | Authors: | Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L. | | Deposit date: | 2005-04-25 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop.
Biochemistry, 44, 2005
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2QKH
 | | Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP | | Descriptor: | Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ... | | Authors: | Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T. | | Deposit date: | 2007-07-11 | | Release date: | 2007-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1FX6
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, PHOSPHATE ION | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-25 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001
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1FY6
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH CADMIUM AND A5P | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-28 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001
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1ZJI
 | | Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | | Authors: | Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L. | | Deposit date: | 2005-04-28 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop
Biochemistry, 44, 2005
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1IG9
 | | Structure of the Replicating Complex of a Pol Alpha Family DNA Polymerase | | Descriptor: | 5'-D(*AP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*(DOC))-3', CALCIUM ION, ... | | Authors: | Franklin, M.C, Wang, J, Steitz, T.A. | | Deposit date: | 2001-04-17 | | Release date: | 2001-06-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Replicating Complex of a Pol Alpha Family DNA Polymerase
Cell(Cambridge,Mass.), 105, 2001
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1FXP
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH CADMIUM | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, CADMIUM ION, PHOSPHATE ION | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-26 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001
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1G6M
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | Deposit date: | 2004-08-13 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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1K1D
 | | Crystal structure of D-hydantoinase | | Descriptor: | D-hydantoinase, ZINC ION | | Authors: | Cheon, Y.H, Kim, H.S, Han, K.H, Abendroth, J, Niefind, K, Schomburg, D, Wang, J, Kim, Y. | | Deposit date: | 2001-09-25 | | Release date: | 2002-08-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity.
Biochemistry, 41, 2002
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