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2BEB
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BU of 2beb by Molmil
X-ray structure of Asn to Thr mutant of Winged Bean Chymotrypsin inhibitor
Descriptor: Chymotrypsin inhibitor 3
Authors:Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S.
Deposit date:2005-10-24
Release date:2006-06-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
7W4U
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BU of 7w4u by Molmil
Structure of the M. tuberculosis HtrA S407A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4S
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BU of 7w4s by Molmil
Structure of the M. tuberculosis HtrA S363A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4V
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BU of 7w4v by Molmil
Structure of the M. tuberculosis HtrA S413A mutant at room temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
6GT2
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BU of 6gt2 by Molmil
Reduced copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION
Authors:Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S.
Deposit date:2018-06-15
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
2GWF
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BU of 2gwf by Molmil
Structure of a USP8-NRDP1 complex
Descriptor: RING finger protein 41, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
2LL4
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BU of 2ll4 by Molmil
HADDOCK structure of TgMIC4-A5/lacto-N-biose complex, based on NOE-derived distance restraints
Descriptor: Micronemal protein 4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Cowper, B, Matthews, S.
Deposit date:2011-10-26
Release date:2012-04-04
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma gondii.
J.Biol.Chem., 287, 2012
3H2W
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BU of 3h2w by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellobiose
Descriptor: CALCIUM ION, COBALT (II) ION, Cellulase, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2009-04-14
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with Cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
1HPJ
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BU of 1hpj by Molmil
SOLUTION NMR STRUCTURE OF THE HUMAN PLASMINOGEN KRINGLE 1 DOMAIN COMPLEXED WITH 6-AMINOHEXANOIC ACID AT PH 5.3, 310K, DERIVED FROM RANDOMLY GENERATED STRUCTURES USING SIMULATED ANNEALING, 12 STRUCTURES
Descriptor: PLASMINOGEN
Authors:Rejante, M, Llinas, M.
Deposit date:1996-08-14
Release date:1997-03-12
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the epsilon-aminohexanoic acid complex of human plasminogen kringle 1.
Eur.J.Biochem., 221, 1994
6KAB
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BU of 6kab by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
Descriptor: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
2LL3
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BU of 2ll3 by Molmil
The solution structure of TgMIC4 apple-5 domain
Descriptor: Micronemal protein 4
Authors:Cowper, B, Matthews, S.
Deposit date:2011-10-26
Release date:2012-04-04
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma gondii.
J.Biol.Chem., 287, 2012
5A1G
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BU of 5a1g by Molmil
The structure of Human MAT2A in complex with S-adenosylethionine and PPNP.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (DIPHOSPHONO)AMINOPHOSPHONIC ACID, IMIDAZOLE, ...
Authors:Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
Deposit date:2015-04-30
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KCN
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BU of 6kcn by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4
Descriptor: 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-28
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
4EX8
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BU of 4ex8 by Molmil
Crystal structure of the prealnumycin C-glycosynthase AlnA
Descriptor: AlnA, CALCIUM ION, CHLORIDE ION, ...
Authors:Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M.
Deposit date:2012-04-30
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
3MDR
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BU of 3mdr by Molmil
Tranylcypromine complex of Cytochrome P450 46A1
Descriptor: (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mast, N, Charvet, C, Pikuleva, I, Stout, C.D.
Deposit date:2010-03-30
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
1B5M
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BU of 1b5m by Molmil
RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5
Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rivera, M, White, S.P, Zhang, X.
Deposit date:1996-11-07
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:13C NMR spectroscopic and X-ray crystallographic study of the role played by mitochondrial cytochrome b5 heme propionates in the electrostatic binding to cytochrome c.
Biochemistry, 35, 1996
3QSC
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BU of 3qsc by Molmil
The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex)
Descriptor: 5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II)
Authors:Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S.
Deposit date:2011-02-21
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.
J.Med.Chem., 55, 2012
1OK8
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BU of 1ok8 by Molmil
Crystal structure of the dengue 2 virus envelope glycoprotein in the postfusion conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAJOR ENVELOPE PROTEIN E
Authors:Modis, Y, Harrison, S.C.
Deposit date:2003-07-19
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Dengue Virus Envelope Protein After Membrane Fusion
Nature, 427, 2004
3ASL
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BU of 3asl by Molmil
Structure of UHRF1 in complex with histone tail
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, Histone H3.3, ...
Authors:Arita, K, Sugita, K, Unoki, M, Hamamoto, R, Sekiyama, N, Tochio, H, Ariyoshi, M, Shirakawa, M.
Deposit date:2010-12-16
Release date:2012-01-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Recognition of modification status on a histone H3 tail by linked histone reader modules of the epigenetic regulator UHRF1
Proc.Natl.Acad.Sci.USA, 109, 2012
2DQ0
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BU of 2dq0 by Molmil
Crystal structure of seryl-tRNA synthetase from Pyrococcus horikoshii complexed with a seryl-adenylate analog
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, SULFATE ION, Seryl-tRNA synthetase
Authors:Itoh, Y, Sekine, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-05-18
Release date:2007-06-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and mutational studies of seryl-tRNA synthetase from the archaeon Pyrococcus horikoshii.
Rna Biol., 5, 2008
4G61
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BU of 4g61 by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with Mg2+ and phosphate
Descriptor: 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2012-07-18
Release date:2013-07-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
3I0K
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BU of 3i0k by Molmil
Crystal structure of GTB C80S/C196S/C209S + UDP + H antigen
Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3U2P
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BU of 3u2p by Molmil
Crystal structure of N-terminal three extracellular domains of ErbB4/Her4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J.
Deposit date:2011-10-04
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether.
Protein Sci., 21, 2012
1JXK
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BU of 1jxk by Molmil
Role of ethe mobile loop in the mehanism of human salivary amylase
Descriptor: Alpha-amylase, salivary, CALCIUM ION, ...
Authors:Ramasubbu, N, Ragunath, C, Wang, Z.
Deposit date:2001-09-07
Release date:2001-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase
J.Mol.Biol., 325, 2003

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