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3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KZT
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BU of 3kzt by Molmil
Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-08
Release date:2010-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution
To be published
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
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
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:2024-10-30
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
3L2X
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BU of 3l2x by Molmil
Crystal Structure of Spin Labeled T4 Lysozyme Mutant 115-119RX
Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, BETA-MERCAPTOETHANOL, ...
Authors:Fleissner, M.R, Cascio, D, Hubbell, W.L.
Deposit date:2009-12-15
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Spin Labeled T4 Lysozyme Mutant 115-119RX
To be Published
3L32
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BU of 3l32 by Molmil
Structure of the dimerisation domain of the rabies virus phosphoprotein
Descriptor: Phosphoprotein
Authors:Ivanov, I, Crepin, T, Jamin, M, Ruigrok, R.W.H.
Deposit date:2009-12-16
Release date:2010-02-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the dimerisation domain of the rabies virus phosphoprotein
J.Virol., 2010
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
3L3X
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BU of 3l3x by Molmil
Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3
Authors:Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
3KO5
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BU of 3ko5 by Molmil
D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOG
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BU of 3kog by Molmil
Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution
To be published
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
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
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:2024-10-30
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Crystal structure of a hypothetical protein from Staphylococcus aureus
To be Published
3L31
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BU of 3l31 by Molmil
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase
Authors:Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R.
Deposit date:2009-12-16
Release date:2010-04-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 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:2024-10-16
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
3L3V
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BU of 3l3v by Molmil
Structure of HIV-1 integrase core domain in complex with sucrose
Descriptor: CADMIUM ION, POL polyprotein, SULFATE ION, ...
Authors:Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
Deposit date:2009-12-18
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
Febs Lett., 584, 2010
3L4M
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BU of 3l4m by Molmil
Crystal Structure of the MauG/pre-Methylamine Dehydrogenase Complex.
Descriptor: ACETATE ION, CALCIUM ION, HEME C, ...
Authors:Jensen, L.M.R, Wilmot, C.M.
Deposit date:2009-12-21
Release date:2010-03-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:In crystallo posttranslational modification within a MauG/pre-methylamine dehydrogenase complex.
Science, 327, 2010
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
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
3KPM
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BU of 3kpm by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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
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
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
Descriptor: 6-chloro-9H-purine, 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:2024-11-06
Method:X-RAY DIFFRACTION (2.4 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

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數據於2024-11-06公開中

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