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3KQB
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BU of 3kqb by Molmil
Factor xa in complex with the inhibitor n-(3-fluoro-2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h- pyrazole-5-carboxamide
Descriptor: N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, SODIUM ION, factor Xa heavy chain, ...
Authors:Sheriff, S.
Deposit date:2009-11-17
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Phenyltriazolinones as potent factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KQL
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BU of 3kql by Molmil
Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal a Ratchet Translocation Mechanism
Descriptor: 5'-D(*TP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gu, M, Rice, C.M.
Deposit date:2009-11-17
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KVR
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BU of 3kvr by Molmil
Trapping of an oxocarbenium ion intermediate in UP crystals
Descriptor: 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol, 5-FLUOROURACIL, SULFATE ION, ...
Authors:Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Descriptor: 2-amino-1H-benzimidazol-7-ol, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KW3
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BU of 3kw3 by Molmil
Crystal structure of alanine racemase from Bartonella henselae with covalently bound pyridoxal phosphate
Descriptor: Alanine racemase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-30
Release date:2009-12-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3KSX
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BU of 3ksx by Molmil
The alkanesulfonate-binding protein SsuA from Xanthomonas axonopodis pv. citri bound to MOPS
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Nitrate transport protein, SULFATE ION
Authors:Balan, A, Araujo, F.T, Barbosa, J.A.R.G.
Deposit date:2009-11-23
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystallographic structure of the SsuA protein reveals how alkanesulfonates enter into the cell
To be Published
3KYA
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BU of 3kya by Molmil
Crystal structure of Putative phosphatase (NP_812416.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.77 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-04
Release date:2009-12-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of Putative phosphatase (NP_812416.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.77 A resolution
To be published
3KT8
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BU of 3kt8 by Molmil
Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with L-tryptophanamide
Descriptor: L-TRYPTOPHANAMIDE, SULFATE ION, Tryptophanyl-tRNA synthetase, ...
Authors:Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
3KU1
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BU of 3ku1 by Molmil
Crystal structure of Streptococcus pneumoniae Sp1610, a putative tRNA (m1A22) methyltransferase, in complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, SAM-dependent methyltransferase
Authors:Ta, M.H, Kim, K.K.
Deposit date:2009-11-26
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Streptococcus pneumoniae Sp1610, a putative tRNA (m1A22) methyltransferase in complex with S-adenosyl-L-methionine
to be published
3KYY
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BU of 3kyy by Molmil
Joint Xray/neutron crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KW4
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BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3KWK
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BU of 3kwk by Molmil
Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (NP_809094.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.54 A resolution
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-01
Release date:2009-12-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (NP_809094.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.54 A resolution
To be published
3KXM
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BU of 3kxm by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
Descriptor: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3L1F
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BU of 3l1f by Molmil
Bovine AlphaA crystallin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
3KYK
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BU of 3kyk by Molmil
Crystal structure of li33 Igg1 Fab
Descriptor: Heavy Chain Li33 IgG1, Light Chain Li33 IgG1, SULFATE ION
Authors:Silvian, L.F, Pepinsky, R.B, Walus, L.
Deposit date:2009-12-06
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Improving the solubility of anti-LINGO-1 monoclonal antibody Li33 by isotype switching and targeted mutagenesis.
Protein Sci., 19, 2010
3L20
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BU of 3l20 by Molmil
Crystal structure of a hypothetical protein from Staphylococcus aureus
Descriptor: Putative uncharacterized protein
Authors:Lam, R, Chan, T, Battaile, K.P, Mihajlovic, V, Romanov, V, Soloveychik, M, Kisselman, G, McGrath, T.E, Lam, K, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-12-14
Release date:2010-10-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Crystal structure of a hypothetical protein from Staphylococcus aureus
To be Published
3NHP
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BU of 3nhp by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6,7,8-trimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NIH
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BU of 3nih by Molmil
The structure of UBR box (RIAAA)
Descriptor: E3 ubiquitin-protein ligase UBR1, Peptide RIAAA, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NJH
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BU of 3njh by Molmil
D37A mutant of SO1698 protein, an aspartic peptidase from Shewanella oneidensis.
Descriptor: CALCIUM ION, GLYCEROL, Peptidase, ...
Authors:Osipiuk, J, Mulligan, R, Bargassa, M, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-17
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.
J.Biol.Chem., 287, 2012
3NJP
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BU of 3njp by Molmil
The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, Epidermal growth factor receptor, ...
Authors:Lu, C, Mi, L.-Z, Grey, M.J, Zhu, J, Graef, E, Yokoyama, S, Springer, T.A.
Deposit date:2010-06-17
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Structural evidence for loose linkage between ligand binding and kinase activation in the epidermal growth factor receptor.
Mol.Cell.Biol., 30, 2010
3NM1
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BU of 3nm1 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Descriptor: 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ...
Authors:Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
Deposit date:2010-06-21
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.211 Å)
Cite:Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
3MYQ
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BU of 3myq by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-05-11
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
3N6X
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BU of 3n6x by Molmil
Crystal structure of a Putative glutathionylspermidine synthase (Mfla_0391) from METHYLOBACILLUS FLAGELLATUS KT at 2.35 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Putative glutathionylspermidine synthase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-26
Release date:2010-06-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a Putative glutathionylspermidine synthase (Mfla_0391) from METHYLOBACILLUS FLAGELLATUS KT at 2.35 A resolution
To be published
3NKB
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BU of 3nkb by Molmil
A 1.9A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage
Descriptor: DNA/RNA (5'-D(*(DUR))-D(*GP*G)-R(P*CP*UP*UP*GP*CP*A)-3'), MAGNESIUM ION, The hepatitis delta virus ribozyme
Authors:Chen, J.-H, Yajima, R, Chadalavada, D.M, Chase, E, Bevilacqua, P.C, Golden, B.L.
Deposit date:2010-06-18
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:A 1.9 A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage.
Biochemistry, 49, 2010
3MWX
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BU of 3mwx by Molmil
Crystal structure of a putative galactose mutarotase (BSU18360) from BACILLUS SUBTILIS at 1.45 A resolution
Descriptor: Aldose 1-epimerase, GLYCEROL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-06
Release date:2010-07-07
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a putative galactose mutarotase (BSU18360) from BACILLUS SUBTILIS at 1.45 A resolution
To be published

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数据于2024-08-28公开中

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