8HVP
| STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | 分子名称: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | 著者 | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | 登録日 | 1990-10-26 | 公開日 | 1993-10-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. Biochemistry, 30, 1991
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1PPA
| THE CRYSTAL STRUCTURE OF A LYSINE 49 PHOSPHOLIPASE A2 FROM THE VENOM OF THE COTTONMOUTH SNAKE AT 2.0 ANGSTROMS RESOLUTION | 分子名称: | ANILINE, PHOSPHOLIPASE A2 | 著者 | Holland, D.R, Clancy, L.L, Muchmore, S.W, Rydel, T.J, Einspahr, H.M, Finzel, B.C, Heinrikson, R.L, Watenpaugh, K.D. | 登録日 | 1991-10-29 | 公開日 | 1994-01-31 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution. J.Biol.Chem., 265, 1990
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1BHQ
| MAC-1 I DOMAIN CADMIUM COMPLEX | 分子名称: | ACETYL GROUP, CADMIUM ION, CD11B | 著者 | Baldwin, E.T. | 登録日 | 1998-06-10 | 公開日 | 1998-11-04 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cation binding to the integrin CD11b I domain and activation model assessment Structure, 6, 1998
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1BHO
| MAC-1 I DOMAIN MAGNESIUM COMPLEX | 分子名称: | CD11B, MAGNESIUM ION | 著者 | Baldwin, E.T. | 登録日 | 1998-06-10 | 公開日 | 1998-11-04 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cation binding to the integrin CD11b I domain and activation model assessment Structure, 6, 1998
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3KJF
| Caspase 3 Bound to a covalent inhibitor | 分子名称: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJN
| Caspase 8 bound to a covalent inhibitor | 分子名称: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJQ
| Caspase 8 with covalent inhibitor | 分子名称: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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1IDN
| MAC-1 I DOMAIN METAL FREE | 分子名称: | CD11B | 著者 | Baldwin, E.T. | 登録日 | 1998-06-10 | 公開日 | 1998-11-04 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cation binding to the integrin CD11b I domain and activation model assessment Structure, 6, 1998
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1QTN
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7HVP
| X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR | 分子名称: | HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365) | 著者 | Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A. | 登録日 | 1990-09-13 | 公開日 | 1993-07-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor. Proc.Natl.Acad.Sci.USA, 87, 1990
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1VIB
| NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES | 分子名称: | NEUROTOXIN B-IV | 著者 | Barnham, K.J, Dyke, T.R, Kem, W.R, Norton, R.S. | 登録日 | 1996-11-25 | 公開日 | 1997-05-15 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of neurotoxin B-IV from the marine worm Cerebratulus lacteus: a helical hairpin cross-linked by disulphide bonding. J.Mol.Biol., 268, 1997
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2ORA
| RHODANESE (THIOSULFATE: CYANIDE SULFURTRANSFERASE) | 分子名称: | OXIDIZED RHODANESE | 著者 | Gliubich, F, Gazerro, M, Zanotti, G, Delbono, S, Berni, R. | 登録日 | 1996-02-22 | 公開日 | 1996-08-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Active site structural features for chemically modified forms of rhodanese. J.Biol.Chem., 271, 1996
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1HIV
| CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING | 分子名称: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE | 著者 | Thanki, N, Wlodawer, A. | 登録日 | 1992-02-12 | 公開日 | 1993-10-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling. Protein Sci., 1, 1992
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1I1B
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1IVP
| THE CRYSTALLOGRAPHIC STRUCTURE OF THE PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 WITH TWO SYNTHETIC PEPTIDIC TRANSITION STATE ANALOG INHIBITORS | 分子名称: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-2 PROTEASE | 著者 | Mulichak, A.M, Watenpaugh, K.D. | 登録日 | 1993-03-18 | 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 | The crystallographic structure of the protease from human immunodeficiency virus type 2 with two synthetic peptidic transition state analog inhibitors. J.Biol.Chem., 268, 1993
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1IVQ
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1F9E
| CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO | 分子名称: | (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN | 著者 | Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G. | 登録日 | 2000-07-10 | 公開日 | 2001-07-10 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex. J.Mol.Biol., 302, 2000
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4FM7
| Crystal Structure of BACE with Compound 14g | 分子名称: | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION | 著者 | Vajdos, F.F, Varghese, A.H. | 登録日 | 2012-06-15 | 公開日 | 2012-10-03 | 最終更新日 | 2013-06-19 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55, 2012
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4FM8
| Crystal Structure of BACE with Compound 12a | 分子名称: | (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ... | 著者 | Vajdos, F.F, Varghese, A.H. | 登録日 | 2012-06-15 | 公開日 | 2012-10-03 | 最終更新日 | 2013-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55, 2012
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1GNM
| HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) | 分子名称: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | 著者 | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | 登録日 | 1996-05-04 | 公開日 | 1996-11-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GNN
| HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) | 分子名称: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | 著者 | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | 登録日 | 1996-05-04 | 公開日 | 1996-11-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GNO
| HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | 分子名称: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | 著者 | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | 登録日 | 1996-05-04 | 公開日 | 1996-11-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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2HPF
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2HPE
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2IRT
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