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3GTA
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BU of 3gta by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ...
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2009-03-27
Release date:2010-03-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
3GXQ
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BU of 3gxq by Molmil
Structure of ArtA and DNA complex
Descriptor: DNA (5'-D(*AP*CP*AP*TP*GP*AP*CP*AP*TP*G)-3'), DNA (5'-D(*AP*CP*AP*TP*GP*TP*CP*AP*TP*GP*T)-3'), Putative regulator of transfer genes ArtA
Authors:Ni, L, Firth, N, Schumacher, M.A.
Deposit date:2009-04-02
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Staphylococcus aureus pSK41 plasmid-encoded ArtA protein is a master regulator of plasmid transmission genes and contains a RHH motif used in alternate DNA-binding modes.
Nucleic Acids Res., 37, 2009
3FLP
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BU of 3flp by Molmil
Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus
Descriptor: CALCIUM ION, SAP-like pentraxin
Authors:Shrive, A.K, Greenhough, T.J, Armstrong, P.B.
Deposit date:2008-12-19
Release date:2009-01-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
J.Mol.Biol., 386, 2009
3F7K
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BU of 3f7k by Molmil
X-ray Crystal Structure of an Alvinella pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex
Descriptor: COPPER (I) ION, COPPER (II) ION, Copper,Zinc Superoxide Dismutase, ...
Authors:Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A.
Deposit date:2008-11-09
Release date:2009-02-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
3F7L
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BU of 3f7l by Molmil
X-ray Crystal Structure of Alvinella pompejana Cu,Zn Superoxide Dismutase
Descriptor: ACETIC ACID, COPPER (I) ION, COPPER (II) ION, ...
Authors:Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A.
Deposit date:2008-11-09
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
3FPU
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BU of 3fpu by Molmil
The crystallographic structure of the Complex between Evasin-1 and CCL3
Descriptor: C-C motif chemokine 3, Evasin-1, NICKEL (II) ION
Authors:Shaw, J.P, Dias, J.M.
Deposit date:2009-01-06
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009
3GMT
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BU of 3gmt by Molmil
Crystal structure of adenylate kinase from burkholderia pseudomallei
Descriptor: Adenylate kinase, SULFATE ION
Authors:Abendroth, J, Staker, B.L, Robinson, H, Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W, Stacy, R, Myler, P.J, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-15
Release date:2009-06-02
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of Burkholderia pseudomallei adenylate kinase (Adk): profound asymmetry in the crystal structure of the 'open' state.
Biochem.Biophys.Res.Commun., 394, 2010
3GT9
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BU of 3gt9 by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Descriptor: Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2009-03-27
Release date:2010-03-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
3GVF
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BU of 3gvf by Molmil
1.7 Angstrom crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei bound with phosphate
Descriptor: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-30
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
Descriptor: N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase
Authors:Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3H7F
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BU of 3h7f by Molmil
Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, Serine hydroxymethyltransferase 1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-04-24
Release date:2009-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3GWA
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BU of 3gwa by Molmil
1.6 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3DD9
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BU of 3dd9 by Molmil
Structure of DocH66Y dimer
Descriptor: Death on curing protein
Authors:Garcia-Pino, A, Loris, R.
Deposit date:2008-06-05
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The intrinsically disordered domain of the antitoxin Phd chaperones the toxin Doc against irreversible inactivation and misfolding
J. Biol. Chem., 289, 2014
3DHZ
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BU of 3dhz by Molmil
Apo (iron free) structure of C. ammoniagenes R2 protein
Descriptor: FE (II) ION, Ribonucleotide reductase subunit R2F
Authors:Hogbom, M, Nordlund, P.
Deposit date:2008-06-19
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and mutational studies of the carboxylate cluster in Iron-free Ribonucleotide Reductase R2.
Biochemistry, 43, 2004
3DR6
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BU of 3dr6 by Molmil
Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, yncA
Authors:Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-10
Release date:2008-09-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Funded by the national institute of allergy and infectious diseases of nih (contract number hhsn272200700058c).
To be Published
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3H5J
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BU of 3h5j by Molmil
LeuD_1-168 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 3-isopropylmalate dehydratase small subunit, SULFATE ION
Authors:Manikandan, K, Geerlof, A, Weiss, M.S.
Deposit date:2009-04-22
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural studies on the enzyme complex isopropylmalate isomerase (LeuCD) from Mycobacterium tuberculosis
Proteins, 79, 2011
3H5U
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BU of 3h5u by Molmil
Hepatitis C virus polymerase NS5B with saccharin inhibitor 1
Descriptor: N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-04-22
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
3GWE
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BU of 3gwe by Molmil
2.1 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
Descriptor: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3H6A
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BU of 3h6a by Molmil
Structure of the Calx-beta domain of integrin beta4 crystallized in the presence of calcium
Descriptor: Integrin beta-4
Authors:Alonso-Garcia, N, Ingles-Prieto, A, de Pereda, J.M.
Deposit date:2009-04-23
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Structure of the Calx-beta domain of the integrin beta4 subunit: insights into function and cation-independent stability
Acta Crystallogr.,Sect.D, 65, 2009
3H7O
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BU of 3h7o by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
Descriptor: GLYCEROL, Group 3 allergen SMIPP-S Yv6023A04, SULFATE ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3HBX
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BU of 3hbx by Molmil
Crystal structure of GAD1 from Arabidopsis thaliana
Descriptor: Glutamate decarboxylase 1
Authors:Gut, H, Dominici, P, Pilati, S, Gruetter, M.G, Capitani, G.
Deposit date:2009-05-05
Release date:2009-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.672 Å)
Cite:A common structural basis for pH- and calmodulin-mediated regulation in plant glutamate decarboxylase.
J.Mol.Biol., 392, 2009
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
Descriptor: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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