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1D42
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SOLUTION STRUCTURE OF [D(GTATATAC)]2 VIA RESTRAINED MOLECULAR DYNAMICS SIMULATIONS WITH NUCLEAR MAGNETIC RESONANCE CONSTRAINTS DERIVED FROM RELAXATION MATRIX ANALYSIS OF TWO-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT EXPERIMENTS
Descriptor: DNA (5'-D(*GP*TP*AP*TP*AP*TP*AP*C)-3')
Authors:Schmitz, U, James, T.L.
Deposit date:1991-05-15
Release date:1993-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of [d(GTATATAC)]2 via restrained molecular dynamics simulations with nuclear magnetic resonance constraints derived from relaxation matrix analysis of two-dimensional nuclear Overhauser effect experiments.
J.Mol.Biol., 221, 1991
1D43
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE UP
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D44
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D45
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D46
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D48
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STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Egli, M, Williams, L.D, Gao, Q, Rich, A.
Deposit date:1991-09-11
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution.
Biochemistry, 30, 1991
1D49
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THE STRUCTURE OF A B-DNA DECAMER WITH A CENTRAL T-A STEP: C-G-A-T-T-A-A-T-C-G
Descriptor: DNA (5'-D(*CP*GP*AP*TP*TP*AP*AP*TP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Grzeskowiak, K, Yanagi, K, Dickerson, R.E.
Deposit date:1991-09-17
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a B-DNA decamer with a central T-A step: C-G-A-T-T-A-A-T-C-G.
J.Mol.Biol., 225, 1992
1D4A
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CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
Authors:Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
Deposit date:1999-10-01
Release date:1999-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release.
Proc.Natl.Acad.Sci.USA, 97, 2000
1D4B
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CIDE-N DOMAIN OF HUMAN CIDE-B
Descriptor: HUMAN CELL DEATH-INDUCING EFFECTOR B
Authors:Lugovskoy, A, Zhou, P, Chou, J, McCarty, J, Li, P, Wagner, G.
Deposit date:1999-10-02
Release date:1999-12-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the CIDE-N domain of CIDE-B and a model for CIDE-N/CIDE-N interactions in the DNA fragmentation pathway of apoptosis.
Cell(Cambridge,Mass.), 99, 1999
1D4C
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CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, HEME C, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999
1D4D
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CRYSTAL STRUCTURE OF THE SUCCINATE COMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, HEME C, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999
1D4E
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CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, FUMARIC ACID, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999
1D4F
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CRYSTAL STRUCTURE OF RECOMBINANT RAT-LIVER D244E MUTANT S-ADENOSYLHOMOCYSTEINE HYDROLASE
Descriptor: ADENOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE
Authors:Komoto, J, Huang, Y, Takusagawa, F, Gomi, T, Ogawa, H, Takata, Y, Fujioka, M.
Deposit date:2000-06-22
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Effects of site-directed mutagenesis on structure and function of recombinant rat liver S-adenosylhomocysteine hydrolase. Crystal structure of D244E mutant enzyme.
J.Biol.Chem., 275, 2000
1D4H
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HIV-1 Protease in complex with the inhibitor BEA435
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4I
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HIV-1 protease in complex with the inhibitor BEA425
Descriptor: 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE], HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4J
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HIV-1 protease in complex with the inhibitor MSL370
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4K
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HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4L
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HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4M
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THE CRYSTAL STRUCTURE OF COXSACKIEVIRUS A9 TO 2.9 A RESOLUTION
Descriptor: 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, MYRISTIC ACID, PROTEIN (COXSACKIEVIRUS A9)
Authors:Hendry, E, Hatanaka, H, Fry, E, Smyth, M, Tate, J, Stanway, G, Santti, J, Maaronen, M, Hyypia, T, Stuart, D.
Deposit date:1999-10-04
Release date:1999-12-23
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of coxsackievirus A9: new insights into the uncoating mechanisms of enteroviruses.
Structure Fold.Des., 7, 1999
1D4N
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HUMAN SERUM TRANSFERRIN
Descriptor: CARBONATE ION, FE (III) ION, TRANSFERRIN
Authors:Yang, H.-W, MacGillivray, R.T.A, Chen, J, Luo, Y, Wang, Y, Brayer, G.D, Mason, A, Woodworth, R.C, Murphy, M.E.P.
Deposit date:1999-10-04
Release date:2000-03-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of two mutants (K206Q, H207E) of the N-lobe of human transferrin with increased affinity for iron.
Protein Sci., 9, 2000
1D4O
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CRYSTAL STRUCTURE OF TRANSHYDROGENASE DOMAIN III AT 1.2 ANGSTROMS RESOLUTION
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP(H) TRANSHYDROGENASE
Authors:Prasad, G.S, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D.
Deposit date:1999-10-04
Release date:2000-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structure of transhydrogenase domain III at 1.2 A resolution.
Nat.Struct.Biol., 6, 1999
1D4P
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CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR
Descriptor: 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, ...
Authors:Chirgadze, N.Y.
Deposit date:1999-10-04
Release date:1999-10-20
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor.
Protein Sci., 6, 1997
1D4R
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29-mer fragment of human srp rna helix 6
Descriptor: 29-MER OF MODIFIED SRP RNA HELIX 6, MAGNESIUM ION
Authors:Wild, K, Weichenrieder, O, Leonard, G.A, Cusack, S.
Deposit date:1999-10-05
Release date:1999-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2 A structure of helix 6 of the human signal recognition particle RNA
Structure Fold.Des., 7, 1999
1D4S
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HIV-1 PROTEASE V82F/I84V DOUBLE MUTANT/TIPRANAVIR COMPLEX
Descriptor: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1999-10-05
Release date:1999-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
1D4T
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CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH A SLAM PEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999

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