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3TL9
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BU of 3tl9 by Molmil
crystal structure of HIV protease model precursor/Saquinavir complex
Descriptor: (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, ...
Authors:Agniswamy, J, Sayer, J, Weber, I, Louis, J.
Deposit date:2011-08-29
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: 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
Authors:Agniswamy, J, Chen-Hsiang, S, Weber, I.
Deposit date:2011-11-03
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
Descriptor: Caspase-7
Authors:Agniswamy, J.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Acetyl-YVAD-CHO, Caspase-7
Authors:Agniswamy, J.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
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
Descriptor: (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
Authors:Hong, L, Tang, J, Ghosh, A.
Deposit date:2009-07-08
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
4HVP
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BU of 4hvp by Molmil
Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution
Descriptor: HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A.
Deposit date:1989-08-08
Release date:1990-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
2G69
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BU of 2g69 by Molmil
Structure of Unliganded HIV-1 Protease F53L Mutant
Descriptor: protease
Authors:Kovalevsky, A.Y, Liu, F.
Deposit date:2006-02-24
Release date:2006-05-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation.
J.Mol.Biol., 358, 2006
3EDR
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BU of 3edr by Molmil
The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO
Descriptor: Caspase-7, Inhibitor Ac-ldesd-cho peptide
Authors:Agniswamy, J.
Deposit date:2008-09-03
Release date:2008-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3EDQ
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BU of 3edq by Molmil
Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO
Descriptor: AC-LDESD-CHO peptide, Caspase-3
Authors:Fu, G.
Deposit date:2008-09-03
Release date:2008-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
7BGT
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BU of 7bgt by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ...
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
7BGU
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BU of 7bgu by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor
Authors:Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.433 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
1TVX
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BU of 1tvx by Molmil
NEUTROPHIL ACTIVATING PEPTIDE-2 VARIANT FORM M6L WITH FIVE ADDITIONAL AMINO TERMINAL RESIDUES (DSDLY)
Descriptor: NEUTROPHIL ACTIVATING PEPTIDE 2 VARIANT
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1996-11-05
Release date:1997-01-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
3TWH
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BU of 3twh by Molmil
Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant
Descriptor: DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z.
Deposit date:2011-09-21
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
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
Descriptor: NEUTROPHIL ACTIVATING PEPTIDE-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1994-12-19
Release date:1995-12-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of recombinant human neutrophil-activating peptide-2 (M6L) at 1.9-A resolution.
J.Biol.Chem., 270, 1995
1QE6
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BU of 1qe6 by Molmil
INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C)
Descriptor: INTERLEUKIN-8 VARIANT, SULFATE ION
Authors:Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C.
Deposit date:1999-07-13
Release date:2000-03-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
4PGA
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BU of 4pga by Molmil
GLUTAMINASE-ASPARAGINASE FROM PSEUDOMONAS 7A
Descriptor: AMMONIUM ION, GLUTAMINASE-ASPARAGINASE, SULFATE ION
Authors:Jakob, C.G, Lewinski, K, Lacount, M.W, Roberts, J, Lebioda, L.
Deposit date:1997-01-14
Release date:1997-07-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Authors:Bone, R.
Deposit date:1991-10-04
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
1I6X
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BU of 1i6x by Molmil
STRUCTURE OF A STAR MUTANT CRP-CAMP AT 2.2 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN
Authors:White, M.A, Lee, J.C, Fox, R.O.
Deposit date:2001-03-06
Release date:2003-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 1icw by Molmil
INTERLEUKIN-8, MUTANT WITH GLU 38 REPLACED BY CYS AND CYS 50 REPLACED BY ALA
Descriptor: INTERLEUKIN-8
Authors:Eigenbrot, C, Lowman, H.B, Chee, L, Artis, D.R.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
1I5Z
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BU of 1i5z by Molmil
STRUCTURE OF CRP-CAMP AT 1.9 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN
Authors:White, M.A, Lee, J.C, Fox, R.O.
Deposit date:2001-03-01
Release date:2003-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The effect of the D53H point mutation on the macroscopic motions of E. coli Cyclic AMP Receptor Protein
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
Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6S1W
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BU of 6s1w by Molmil
Crystal structure of dimeric M-PMV protease D26N mutant
Descriptor: Gag-Pro-Pol polyprotein
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
2GZW
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BU of 2gzw by Molmil
Crystal structure of the E.coli CRP-cAMP complex
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator
Authors:Kumarevel, T.S, Tanaka, T, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-05-12
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of activated CRP protein from E coli
To be Published
3ECA
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BU of 3eca by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI L-ASPARAGINASE, AN ENZYME USED IN CANCER THERAPY (ELSPAR)
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Swain, A.L, Jaskolski, M, Housset, D, Rao, J.K.M, Wlodawer, A.
Deposit date:1993-07-02
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Escherichia coli L-asparaginase, an enzyme used in cancer therapy.
Proc.Natl.Acad.Sci.USA, 90, 1993

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