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1FMX
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BU of 1fmx by Molmil
STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ...
Authors:Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A.
Deposit date:2000-08-18
Release date:2002-07-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae.
Biochem.Biophys.Res.Commun., 295, 2002
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
Descriptor: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
Authors:Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
Deposit date:2002-10-16
Release date:2002-10-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
1MXK
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BU of 1mxk by Molmil
NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2)
Descriptor: 5'-D(*GP*GP*AP*AP*GP*CP*TP*TP*CP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ...
Authors:Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H.
Deposit date:2002-10-02
Release date:2002-10-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins
J.Inorg.Biochem., 91, 2002
1MTG
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BU of 1mtg by Molmil
NMR Structure of HO2-Co(III)bleomycin A(2) bound to d(GAGCTC)(2)
Descriptor: 5'-D(*GP*AP*GP*CP*TP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ...
Authors:Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H.
Deposit date:2002-09-20
Release date:2002-10-16
Last modified:2012-02-08
Method:SOLUTION NMR
Cite:Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins
J.Inorg.Biochem., 91, 2002
1N14
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BU of 1n14 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA in Comparison with Unmodified DNA; Structure of Unmodified Duplex DNA
Descriptor: 5'-D(*GP*CP*TP*AP*AP*GP*GP*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
Authors:Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
Deposit date:2002-10-16
Release date:2002-10-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
1O0S
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BU of 1o0s by Molmil
Crystal Structure of Ascaris suum Malic Enzyme Complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD-dependent malic enzyme, TARTRONATE
Authors:Rao, G.S, Coleman, D.E, Karsten, W.E, Cook, P.F, Harris, B.G.
Deposit date:2003-02-24
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies on Ascaris suum NAD-malic enzyme bound to reduced cofactor and identification of an effector site.
J.Biol.Chem., 278, 2003
1PGY
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BU of 1pgy by Molmil
Solution structure of the UBA domain in Saccharomyces cerevisiae protein, Swa2p
Descriptor: Swa2p
Authors:Chim, N, Gall, W.E, Xiao, J, Harris, M.P, Graham, T.R, Krezel, A.M.
Deposit date:2003-05-28
Release date:2004-03-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the ubiquitin-binding domain in Swa2p from Saccharomyces cerevisiae.
PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
1QQP
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BU of 1qqp by Molmil
FOOT-AND-MOUTH DISEASE VIRUS/ OLIGOSACCHARIDE RECEPTOR COMPLEX.
Descriptor: 2-O-sulfo-alpha-L-gulopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-gulopyranuronic acid, PROTEIN (GENOME POLYPROTEIN)
Authors:Fry, E.E, Lea, S.M, Jackson, T, Newman, J.W.I, Ellard, F.M, Blakemore, W.E, Abu-Ghazaleh, R, Samuel, A, King, A.M.Q, Stuart, D.I.
Deposit date:1999-05-20
Release date:1999-06-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex.
EMBO J., 18, 1999
1QRN
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BU of 1qrn by Molmil
CRYSTAL STRUCTURE OF HUMAN A6 TCR COMPLEXED WITH HLA-A2 BOUND TO ALTERED HTLV-1 TAX PEPTIDE P6A
Descriptor: BETA-2 MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, ...
Authors:Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C.
Deposit date:1999-06-14
Release date:1999-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical.
Immunity, 11, 1999
1R18
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BU of 1r18 by Molmil
Drosophila protein isoaspartyl methyltransferase with S-adenosyl-L-homocysteine
Descriptor: Protein-L-isoaspartate(D-aspartate)-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bennett, E.J, Bjerregaard, J, Knapp, J.E, Chavous, D.A, Friedman, A.M, Royer Jr, W.E, O'Connor, C.M.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic implications from the Drosophila protein L-isoaspartyl methyltransferase structure and site-directed mutagenesis.
Biochemistry, 42, 2003
3V99
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BU of 3v99 by Molmil
S663D Stable-5-LOX in complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
3V92
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BU of 3v92 by Molmil
S663A Stable-5-LOX
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
3V98
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BU of 3v98 by Molmil
S663D Stable-5-LOX
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
3WSJ
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BU of 3wsj by Molmil
HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, SULFATE ION, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-03-14
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir.
J.Med.Chem., 57, 2014
3WZ8
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BU of 3wz8 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (8)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3WZ6
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BU of 3wz6 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (5)
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3WZ7
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BU of 3wz7 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (6)
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
1YHU
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BU of 1yhu by Molmil
Crystal structure of Riftia pachyptila C1 hemoglobin reveals novel assembly of 24 subunits.
Descriptor: Giant hemoglobins B chain, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Flores, J.F, Fisher, C.R, Carney, S.L, Green, B.N, Freytag, J.K, Schaeffer, S.W, Royer, W.E.
Deposit date:2005-01-10
Release date:2005-02-08
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Sulfide binding is mediated by zinc ions discovered in the crystal structure of a hydrothermal vent tubeworm hemoglobin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2EYP
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BU of 2eyp by Molmil
Crystal structure of Staphylococcal nuclease mutant T120V
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-09
Release date:2006-10-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Threonine mutants of Staphylococcal nuclease
To be Published
2F0D
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BU of 2f0d by Molmil
Crystal structure of Staphylococcal nuclease mutant I92V
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-13
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
2F0H
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BU of 2f0h by Molmil
Crystal structure of Staphylococcal nuclease mutant V66L
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-13
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
2F0O
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BU of 2f0o by Molmil
Crystal structure of Staphylococcal nuclease mutant V66I/I72V
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-13
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
2EY1
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BU of 2ey1 by Molmil
Crystal structure of Staphylococcal nuclease mutant T22V
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-09
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Threonine mutants of Staphylococcal nuclease
To be Published
2EY6
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BU of 2ey6 by Molmil
Crystal structure of Staphylococcal nuclease mutant T41V
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-09
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Threonine mutants of Staphylococcal nuclease
To be Published
2EYH
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BU of 2eyh by Molmil
Crystal structure of Staphylococcal nuclease mutant T62S
Descriptor: Staphylococcal nuclease
Authors:Lu, J.Z, Sakon, J, Stites, W.E.
Deposit date:2005-11-09
Release date:2006-10-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Threonine mutants of Staphylococcal nuclease
To be Published

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