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4U27
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BU of 4u27 by Molmil
Crystal structure of the E. coli ribosome bound to flopristin and linopristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4B6M
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BU of 4b6m by Molmil
Trypansoma brucei tubulin binding cofactor B CAP-Gly domain
Descriptor: FORMIC ACID, TUBULIN-SPECIFIC CHAPERONE, PUTATIVE
Authors:Fleming, J.R, Morgan, R.E, Hunter, W.N.
Deposit date:2012-08-14
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
2JEW
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BU of 2jew by Molmil
Crystal structure of ((2S)-5-amino-2-((1-n-propyl-1H-imidazol-4-yl) methyl)pentanoic acid) UK396,082 a TAFIa inhibitor, Bound to Activated Porcine Pancreatic carboxypeptidaseB
Descriptor: (2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]PENTANOIC ACID, CARBOXYPEPTIDASE B, ZINC ION
Authors:Brown, D.G, Moore, R.S.
Deposit date:2007-01-24
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis.
J. Med. Chem., 50, 2007
1M71
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BU of 1m71 by Molmil
Crystal structure of a Monoclonal Fab Specific for Shigella Flexneri Y lipopolysaccharide
Descriptor: heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6
Authors:Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A.
Deposit date:2002-07-18
Release date:2003-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodyanamics
Biochemistry, 41, 2002
1CNF
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BU of 1cnf by Molmil
STRUCTURAL STUDIES ON CORN NITRATE REDUCTASE: REFINED STRUCTURE OF THE CYTOCHROME B REDUCTASE FRAGMENT AT 2.5 ANGSTROMS, ITS ADP COMPLEX AND AN ACTIVE SITE MUTANT AND MODELING OF THE CYTOCHROME B DOMAIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NITRATE REDUCTASE
Authors:Lu, G, Lindqvist, Y, Schneider, G.
Deposit date:1995-02-01
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies on corn nitrate reductase: refined structure of the cytochrome b reductase fragment at 2.5 A, its ADP complex and an active-site mutant and modeling of the cytochrome b domain.
J.Mol.Biol., 248, 1995
1CFL
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BU of 1cfl by Molmil
DNA DECAMER DUPLEX CONTAINING T5-T6 PHOTOADDUCT
Descriptor: DNA (5'-D(*CP*GP*CP*AP*(64T)P*TP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*TP*GP*CP*G)-3')
Authors:Lee, J.-H, Hwang, G.-S, Choi, B.-S.
Deposit date:1999-03-19
Release date:1999-05-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a DNA decamer duplex containing the stable 3' T.G base pair of the pyrimidine(6-4)pyrimidone photoproduct [(6-4) adduct]: implications for the highly specific 3' T --> C transition of the (6-4) adduct.
Proc.Natl.Acad.Sci.USA, 96, 1999
2QKF
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BU of 2qkf by Molmil
Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase, CHLORIDE ION, GLYCEROL, ...
Authors:Cochrane, F.C, Patchett, M.L, Jameson, G.B, Parker, E.J.
Deposit date:2007-07-11
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Re-Establishing a Metal-Binding Scaffold with Full Activity in the Metal-Independent Kdo8P Synthase from Neisseria Meningitidis
To be Published
3HC8
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BU of 3hc8 by Molmil
Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.
Descriptor: 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M.
Deposit date:2009-05-05
Release date:2009-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 19, 2009
2FMN
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BU of 2fmn by Molmil
Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID
Authors:Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
2FMO
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BU of 2fmo by Molmil
Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
4K4Y
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BU of 4k4y by Molmil
Coxsackievirus B3 polymerase elongation complex (r2+1_form)
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, ACETATE ION, DNA/RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*(DOC))-3'), ...
Authors:Gong, P, Peersen, O.B.
Deposit date:2013-04-12
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
2AKQ
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BU of 2akq by Molmil
The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength
Descriptor: Beta-lactoglobulin variant A
Authors:Adams, J.J, Anderson, B.F, Norris, G.E, Creamer, L.K, Jameson, G.B.
Deposit date:2005-08-03
Release date:2005-08-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of bovine beta-lactoglobulin (variant A) at very low ionic strength
J.Struct.Biol., 154, 2006
2LAR
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BU of 2lar by Molmil
DNA / RNA Hybrid containing a central stereo specific Rp borano phosphate linkage
Descriptor: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_, RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_
Authors:Johnson, C.N, Spring, A.M, Shaw, B.R, Germann, M.W.
Deposit date:2011-03-18
Release date:2011-10-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of the RNase H1 activity on stereo regular borano phosphonate DNA/RNA hybrids.
Biochemistry, 50, 2011
2LB4
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BU of 2lb4 by Molmil
DNA / RNA Hybrid containing a central stereo specific Sp borano phosphate linkage
Descriptor: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_, RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_
Authors:Johnson, C.N, Spring, A.M, Shaw, B.R, Germann, M.W.
Deposit date:2011-03-22
Release date:2011-06-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis of the RNase H1 Activity on Stereo Regular Borano Phosphonate DNA/RNA Hybrids.
Biochemistry, 50, 2011
4C0M
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BU of 4c0m by Molmil
Crystal Structure of the N terminal domain of wild type TRIF (TIR- domain-containing adapter-inducing interferon-beta)
Descriptor: TIR DOMAIN-CONTAINING ADAPTER MOLECULE 1
Authors:Ullah, M.O, Ve, T, Mangan, M, Alaidarous, M, Sweet, M.J, Mansell, A, Kobe, B.
Deposit date:2013-08-05
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Tlr Signalling Adaptor Trif/Ticam-1 Has an N-Terminal Helical Domain with Structural Similarity to Ifit Proteins
Acta Crystallogr.,Sect.D, 69, 2013
1SNJ
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BU of 1snj by Molmil
Solution structure of the DNA three-way junction with the A/C-stacked conformation
Descriptor: 36-MER
Authors:Wu, B, Girard, F, van Buuren, B, Schleucher, J, Tessari, M, Wijmenga, S.
Deposit date:2004-03-11
Release date:2005-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Global structure of a DNA three-way junction by solution NMR: towards prediction of 3H fold.
Nucleic Acids Res., 32, 2004
1MOE
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BU of 1moe by Molmil
The three-dimensional structure of an engineered scFv T84.66 dimer or diabody in VL to VH linkage.
Descriptor: SULFATE ION, anti-CEA mAb T84.66
Authors:Carmichael, J.A, Power, B.E, Garrett, T.P.J, Yazaki, P.J, Shively, J.E, Raubischek, A.A, Wu, A.M, Hudson, P.J.
Deposit date:2002-09-09
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of an Anti-CEA scFv Diabody Assembled from T84.66 scFvs in VL-to-VH Orientation: Implications for Diabody Flexibility
J.Mol.Biol., 326, 2003
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
2CXG
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BU of 2cxg by Molmil
CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE
Descriptor: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ...
Authors:Strokopytov, B.V, Uitdehaag, J.C.M, Ruiterkamp, R, Dijkstra, B.W.
Deposit date:1998-05-08
Release date:1998-10-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of cyclodextrin glycosyltransferase complexed with acarbose. Implications for the catalytic mechanism of glycosidases.
Biochemistry, 34, 1995
2IXA
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BU of 2ixa by Molmil
A-zyme, N-acetylgalactosaminidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
Deposit date:2006-07-07
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
1IXQ
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BU of 1ixq by Molmil
Enzyme-Phosphate2 Complex of Pyridoxine 5'-Phosphate synthase
Descriptor: PHOSPHATE ION, Pyridoxine 5'-phosphate Synthase
Authors:Garrido-Franco, M, Laber, B, Huber, R, Clausen, T.
Deposit date:2002-06-28
Release date:2003-02-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
J.MOL.BIOL., 321, 2002
1N1K
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BU of 1n1k by Molmil
NMR Structure for d(CCGCGG)2
Descriptor: 5'-D(P*CP*CP*GP*CP*GP*G)-3'
Authors:Monleon, D, Celda, B.
Deposit date:2002-10-18
Release date:2002-10-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR study of hexanucleotide d(CCGCGG)(2) containing two triplet repeats of fragile X syndrome.
Biochem.Biophys.Res.Commun., 303, 2003
4D6C
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BU of 4d6c by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
1SGS
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BU of 1sgs by Molmil
Crystal structure of a free kB DNA
Descriptor: CALCIUM ION, kB DNA
Authors:Huang, D.B, Phelps, C.B, Fusco, A.J, Ghosh, G.
Deposit date:2004-02-24
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a free kappaB DNA: insights into DNA recognition by transcription factor NF-kappaB.
J.Mol.Biol., 346, 2005
1IPJ
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BU of 1ipj by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT AND NATIVE SOYBEAN BETA-CONGLYCININ BETA HOMOTRIMERS COMPLEXES WITH N-ACETYL-D-GLUCOSAMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-CONGLYCININ, BETA CHAIN
Authors:Maruyama, N, Adachi, M, Takahashi, K, Yagasaki, K, Kohno, M, Takenaka, Y, Okuda, E, Nakagawa, S, Mikami, B, Utsumi, S.
Deposit date:2001-05-16
Release date:2002-05-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of recombinant and native soybean beta-conglycinin beta homotrimers.
Eur.J.Biochem., 268, 2001

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