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5P4V
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BU of 5p4v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 220
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.329 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6T
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BU of 5p6t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 290
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P59
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BU of 5p59 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 234
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P77
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BU of 5p77 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 304
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.029 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1WMZ
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BU of 1wmz by Molmil
Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ...
著者Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T.
登録日2004-07-22
公開日2004-09-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
J.Biol.Chem., 279, 2004
1HTG
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BU of 1htg by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, HIV-1 PROTEASE
著者Jhoti, H, Wonacott, A, Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
5P5P
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BU of 5p5p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 250
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7I
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BU of 5p7i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 315
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.187 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HJ8
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BU of 1hj8 by Molmil
1.00 AA Trypsin from Atlantic Salmon
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Leiros, H.-K.S, Mcsweeney, S.M, Smalas, A.O.
登録日2001-01-09
公開日2002-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
分子名称: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
著者Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
登録日2008-10-23
公開日2009-02-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
5P65
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BU of 5p65 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 266
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2AL7
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BU of 2al7 by Molmil
Structure Of Human ADP-Ribosylation Factor-Like 10C
分子名称: ADP-ribosylation factor-like 10C, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Ismail, S, Dimov, S, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2005-08-04
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献GTP-like conformation of GDP-bound ARL10C GTPase
To be Published
5P7X
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BU of 5p7x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 330
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HVO
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BU of 1hvo by Molmil
ZINC-AND SEQUENCE-DEPENDENT BINDING TO NUCLEIC ACIDS BY THE N-TERMINAL ZINC FINGER DOMAIN OF THE HIV-1 NUCLEOCAPSID PROTEIN: NMR STRUCTURE OF THE COMPLEX WITH THE PSI-SITE ANALOG, D/ACGCC
分子名称: DNA (5'-D(P*AP*CP*GP*CP*C)-3'), Hiv-1 Nucleocapsid Zinc Finger, ZINC ION
著者South, T.L, Summers, M.F.
登録日1992-12-08
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Zinc- and sequence-dependent binding to nucleic acids by the N-terminal zinc finger of the HIV-1 nucleocapsid protein: NMR structure of the complex with the Psi-site analog, dACGCC.
Protein Sci., 2, 1993
5P6J
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BU of 5p6j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 280
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8C
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BU of 5p8c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 345
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8P
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BU of 5p8p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 358
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6X
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BU of 5p6x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 294
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HPV
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BU of 1hpv by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH VX-478, A POTENT AND ORALLY BIOAVAILABLE INHIBITOR OF THE ENZYME
分子名称: HIV-1 PROTEASE, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kim, E.E.
登録日1994-11-18
公開日1995-03-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme
J.Am.Chem.Soc., 117, 1995
1HI2
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BU of 1hi2 by Molmil
Eosinophil-derived Neurotoxin (EDN) - Sulphate Complex
分子名称: EOSINOPHIL-DERIVED NEUROTOXIN, SULFATE ION
著者Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R.
登録日2001-01-02
公開日2001-05-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
2AOG
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BU of 2aog by Molmil
Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC
分子名称: ACETIC ACID, GLYCEROL, HIV-1 PROTEASE (RETROPEPSIN), ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
登録日2005-08-12
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
5P7B
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BU of 5p7b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 308
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.407 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2AOZ
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BU of 2aoz by Molmil
Crystal structure of the myotoxin-II from Atropoides nummifer venom
分子名称: Phospholipase A2 homolog, SULFATE ION
著者Melo, C.C, Murakami, M.T, Angulo, Y, Lomonte, B, Arni, R.K.
登録日2005-08-15
公開日2006-07-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure of myotoxin II, a catalytically inactive Lys49 phospholipase A2 homologue from Atropoides nummifer venom.
Acta Crystallogr.,Sect.F, 62, 2006
1HI5
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BU of 1hi5 by Molmil
Eosinophil-derived Neurotoxin (EDN) - Adenosine-5'-Diphosphate Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN
著者Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R.
登録日2001-01-02
公開日2001-05-31
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
5P7P
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BU of 5p7p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 322
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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