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PDB: 88608 results

1TJF
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The crystal structure of the N-terminal domain of CAP indicates variable oligomerisation
Descriptor: Adenylyl cyclase-associated protein, SULFATE ION
Authors:Mohd Yusof, A, Hu, N.J, Wlodawer, A, Hofmann, A.
Deposit date:2004-06-04
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural evidence for variable oligomerization of the N-terminal domain of cyclase-associated protein (CAP).
Proteins, 58, 2005
1TK0
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T7 DNA polymerase ternary complex with 8 oxo guanosine and ddCTP at the insertion site
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', ...
Authors:Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T.
Deposit date:2004-06-07
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase.
Embo J., 23, 2004
6W8Y
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Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
Authors:Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
Deposit date:2020-03-21
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
3EL1
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Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
2IPI
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Crystal Structure of Aclacinomycin Oxidoreductase
Descriptor: Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H-PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE
Authors:Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P.
Deposit date:2006-10-12
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning.
Acta Crystallogr.,Sect.D, 63, 2007
2IRX
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Crystal Structure of the Polymerase Domain from Mycobacterium tuberculosis Ligase D with GTP and Manganese.
Descriptor: DNA ligase-like protein Rv0938/MT0965, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION
Authors:Brissett, N.C, Pitcher, R.S, Doherty, A.J.
Deposit date:2006-10-16
Release date:2007-01-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a mycobacterial NHEJ DNA repair polymerase.
J.Mol.Biol., 366, 2007
3ZMI
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BU of 3zmi by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L29
Descriptor: RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Authors:Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
Deposit date:2013-02-11
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity.
Structure, 21, 2013
1JNH
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Crystal Structure of Fab-Estradiol Complexes
Descriptor: ESTRADIOL-6 CARBOXYL-METHYL-OXIME, monoclonal anti-estradiol 10G6D6 Fab heavy chain, monoclonal anti-estradiol 10G6D6 Fab light chain
Authors:Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B.
Deposit date:2001-07-24
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Highly specific anti-estradiol antibodies: structural characterisation and binding diversity.
J.Mol.Biol., 315, 2002
1TKR
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BU of 1tkr by Molmil
Human Dipeptidyl Peptidase IV/CD26 inhibited with Diisopropyl FluoroPhosphate
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B.
Deposit date:2004-06-09
Release date:2004-07-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Tyrosine 547 Constitutes an Essential Part of the Catalytic Mechanism of Dipeptidyl Peptidase IV
J.Biol.Chem., 279, 2004
7AN5
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Enzyme of biosynthetic pathway
Descriptor: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase
Authors:Archna, A, Breithaupt, C, Stubbs, M.T.
Deposit date:2020-10-11
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
6I4O
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BU of 6i4o by Molmil
Dodecamer DNA containing the synthetic base pair P-Z
Descriptor: (DCZ)(DG)(DA)(DT)(DP)(DT)(DA)(DZ)(DA)(DT)(DC)(DG3)
Authors:Padroni, G, Reichenbach, L.F, Parkinson, J.A, Burley, G.A.
Deposit date:2018-11-10
Release date:2019-06-12
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components.
J.Am.Chem.Soc., 141, 2019
1TLJ
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Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus
Descriptor: Hypothetical UPF0130 protein SSO0622, SULFATE ION
Authors:Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-06-09
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases.
Rna, 23, 2017
2IQC
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BU of 2iqc by Molmil
Crystal structure of Human FancF Protein that Functions in the Assembly of a DNA Damage Signaling Complex
Descriptor: Fanconi anemia group F protein, MERCURY (II) ION
Authors:Kowal, P, Gurtan, A.M, Stuckert, P, Lehmann, C, D'Andrea, A, Ellenberger, T.E.
Deposit date:2006-10-13
Release date:2006-11-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural determinants of human FANCF protein that function in the assembly of a DNA damage signaling complex.
J.Biol.Chem., 282, 2007
7AMP
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BU of 7amp by Molmil
Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1
Descriptor: Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ...
Authors:Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
Deposit date:2020-10-09
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
1SWS
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BU of 1sws by Molmil
CORE-STREPTAVIDIN MUTANT D128A AT PH 4.5
Descriptor: PROTEIN (STREPTAVIDIN)
Authors:Freitag, S, Chu, V, Le Trong, I, Klumb, L.A, To, R, Stayton, P.S, Stenkamp, R.E.
Deposit date:1998-10-22
Release date:1999-07-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural snapshot of an intermediate on the streptavidin-biotin dissociation pathway.
Proc.Natl.Acad.Sci.USA, 96, 1999
7AN8
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Enzyme of biosynthetic pathway
Descriptor: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
Authors:Archna, A, Breithaupt, C, Stubbs, M.T.
Deposit date:2020-10-11
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
1SUO
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BU of 1suo by Molmil
Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R.
Deposit date:2004-03-26
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
2IV1
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BU of 2iv1 by Molmil
SITE DIRECTED MUTAGENESIS OF KEY RESIDUES INVOLVED IN THE CATALYTIC MECHANISM OF CYANASE
Descriptor: CHLORIDE ION, CYANATE HYDRATASE, SULFATE ION
Authors:Guilloton, M, Walsh, M.A, Joachimiak, A, Anderson, P.M.
Deposit date:2006-06-08
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase
To be Published
4IPI
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Crystal Structure of R314A N-acetyl Neuraminic Acid Synthase from Neiserria meningitidis with Malate bound
Descriptor: (2S)-2-hydroxybutanedioic acid, MANGANESE (II) ION, Polysialic acid capsule biosynthesis protein SiaC
Authors:Joseph, D.D.A, Jiao, W, Parker, E.J.
Deposit date:2013-01-09
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Arg314 Is Essential for Catalysis by N-Acetyl Neuraminic Acid Synthase from Neisseria meningitidis.
Biochemistry, 52, 2013
3ZE1
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Integrin alphaIIB beta3 headpiece and RGD peptide complex
Descriptor: 10E5 FAB HEAVY CHAIN, 10E5 FAB LIGHT CHAIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, J.H, Zhu, J.Q, Springer, T.A.
Deposit date:2012-12-03
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Complete Integrin Headpiece Opening in Eight Steps.
J.Cell Biol., 201, 2013
3ZLM
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Fic protein from Neisseria meningitidis mutant E186G in complex with AMPPNP
Descriptor: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE NMFIC, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Goepfert, A, Schirmer, T.
Deposit date:2013-02-01
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conserved Inhibitory Mechanism and Competent ATP Binding Mode for Adenylyltransferases with Fic Fold.
Plos One, 8, 2013
1T31
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A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S.
Deposit date:2004-04-23
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
3EVF
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BU of 3evf by Molmil
Crystal structure of Me7-GpppA complex of yellow fever virus methyltransferase and S-adenosyl-L-homocysteine
Descriptor: P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Thompson, A.A, Geiss, B.J, Peersen, O.B.
Deposit date:2008-10-13
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Analysis of flavivirus NS5 methyltransferase cap binding.
J.Mol.Biol., 385, 2009
3EFV
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BU of 3efv by Molmil
Crystal Structure of a Putative Succinate-Semialdehyde Dehydrogenase from Salmonella typhimurium LT2 with bound NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative succinate-semialdehyde dehydrogenase
Authors:Brunzelle, J.S, Evdokimova, E, Kudritska, M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-09-10
Release date:2008-11-04
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity of the NAD(P)(+) -dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium.
Proteins, 81, 2013
4IPP
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BU of 4ipp by Molmil
tRNA-guanine-transglycosylase (TGT) mutant V262D APO-Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2013-01-10
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Investigating the advantage of ligands with residual mobility in binding mutated TGT
To be Published

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