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5E5J
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Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Kovalevsky, A.Y, Gerlits, O.O.
登録日2015-10-08
公開日2016-05-04
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
5E5K
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BU of 5e5k by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Kovalevsky, A.Y, Das, A.
登録日2015-10-08
公開日2016-05-04
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION
主引用文献Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
3TL9
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BU of 3tl9 by Molmil
crystal structure of HIV protease model precursor/Saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Sayer, J, Weber, I, Louis, J.
登録日2011-08-29
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
3UHL
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BU of 3uhl by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with p2-NC substrate analog
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, Protease, SULFATE ION
著者Agniswamy, J, Chen-Hsiang, S, Weber, I.
登録日2011-11-03
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
3TKG
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BU of 3tkg by Molmil
crystal structure of HIV model protease precursor/saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Sayer, J, Weber, I, Louis, J.
登録日2011-08-26
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
3TKW
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BU of 3tkw by Molmil
Crystal structure of HIV protease model precursor/Darunavir complex
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Sayer, J, Weber, I, Louis, J.
登録日2011-08-29
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
5T8H
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BU of 5t8h by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0
分子名称: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kovalevsky, A.Y, Gerlits, O.O.
登録日2016-09-07
公開日2017-03-01
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.
J. Med. Chem., 60, 2017
1NAP
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BU of 1nap by Molmil
THE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN NEUTROPHIL-ACTIVATING PEPTIDE-2 (M6L) AT 1.9-ANGSTROMS RESOLUTION
分子名称: NEUTROPHIL ACTIVATING PEPTIDE-2
著者Malkowski, M.G, Edwards, B.F.P.
登録日1994-12-19
公開日1995-12-19
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of recombinant human neutrophil-activating peptide-2 (M6L) at 1.9-A resolution.
J.Biol.Chem., 270, 1995
1TVX
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BU of 1tvx by Molmil
NEUTROPHIL ACTIVATING PEPTIDE-2 VARIANT FORM M6L WITH FIVE ADDITIONAL AMINO TERMINAL RESIDUES (DSDLY)
分子名称: NEUTROPHIL ACTIVATING PEPTIDE 2 VARIANT
著者Malkowski, M.G, Edwards, B.F.P.
登録日1996-11-05
公開日1997-01-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The amino-terminal residues in the crystal structure of connective tissue activating peptide-III (des10) block the ELR chemotactic sequence.
J.Mol.Biol., 266, 1997
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
分子名称: Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3IBC
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BU of 3ibc by Molmil
Crystal Structure of Caspase-7 incomplex with Acetyl-YVAD-CHO
分子名称: Acetyl-YVAD-CHO, Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
2G69
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BU of 2g69 by Molmil
Structure of Unliganded HIV-1 Protease F53L Mutant
分子名称: protease
著者Kovalevsky, A.Y, Liu, F.
登録日2006-02-24
公開日2006-05-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation.
J.Mol.Biol., 358, 2006
3I7E
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BU of 3i7e by Molmil
Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038
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, HIV-1 protease
著者Hong, L, Tang, J, Ghosh, A.
登録日2009-07-08
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
3EDR
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BU of 3edr by Molmil
The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO
分子名称: Caspase-7, Inhibitor Ac-ldesd-cho peptide
著者Agniswamy, J.
登録日2008-09-03
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3TWH
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BU of 3twh by Molmil
Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant
分子名称: DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ...
著者Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z.
登録日2011-09-21
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
4PGA
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BU of 4pga by Molmil
GLUTAMINASE-ASPARAGINASE FROM PSEUDOMONAS 7A
分子名称: AMMONIUM ION, GLUTAMINASE-ASPARAGINASE, SULFATE ION
著者Jakob, C.G, Lewinski, K, Lacount, M.W, Roberts, J, Lebioda, L.
登録日1997-01-14
公開日1997-07-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ion binding induces closed conformation in Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA-SO4(2-)-NH4+ complex at 1.7 A resolution.
Biochemistry, 36, 1997
4PHV
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BU of 4phv by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY
分子名称: HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
著者Bone, R.
登録日1991-10-04
公開日1993-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
1QE6
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BU of 1qe6 by Molmil
INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C)
分子名称: INTERLEUKIN-8 VARIANT, SULFATE ION
著者Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C.
登録日1999-07-13
公開日2000-03-22
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution.
Proteins, 38, 2000
2GZW
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BU of 2gzw by Molmil
Crystal structure of the E.coli CRP-cAMP complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator
著者Kumarevel, T.S, Tanaka, T, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-05-12
公開日2007-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of activated CRP protein from E coli
To be Published
6S1U
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BU of 6s1u by Molmil
Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor
分子名称: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
著者Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
登録日2019-06-19
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6S1W
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Crystal structure of dimeric M-PMV protease D26N mutant
分子名称: Gag-Pro-Pol polyprotein
著者Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
登録日2019-06-19
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6S1V
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BU of 6s1v by Molmil
Crystal structure of dimeric M-PMV protease D26N mutant in complex with inhibitor
分子名称: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
著者Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
登録日2019-06-19
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
1CGP
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BU of 1cgp by Molmil
CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*CP*AP*TP*AP*T)-3'), DNA (5'-D(*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G)-3'), ...
著者Schultz, S.C, Shields, G.C, Steitz, T.A.
登録日1991-08-12
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a CAP-DNA complex: the DNA is bent by 90 degrees.
Science, 253, 1991
1I6X
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STRUCTURE OF A STAR MUTANT CRP-CAMP AT 2.2 A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN
著者White, M.A, Lee, J.C, Fox, R.O.
登録日2001-03-06
公開日2003-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The effect of the D53H point mutation on the macroscopic motions of E. coli Cyclic AMP Receptor Protein
To be Published
1ICW
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INTERLEUKIN-8, MUTANT WITH GLU 38 REPLACED BY CYS AND CYS 50 REPLACED BY ALA
分子名称: INTERLEUKIN-8
著者Eigenbrot, C, Lowman, H.B, Chee, L, Artis, D.R.
登録日1996-09-18
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural change and receptor binding in a chemokine mutant with a rearranged disulfide: X-ray structure of E38C/C50AIL-8 at 2 A resolution.
Proteins, 27, 1997

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