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2R5Q
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BU of 2r5q by Molmil
Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease
著者Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M.
登録日2007-09-04
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease
Biochemistry, 47, 2008
3U3O
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BU of 3u3o by Molmil
Crystal structure of Human SULT1A1 bound to PAP and two 3-Cyano-7-hydroxycoumarin
分子名称: 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1
著者Guttman, C, Berger, I, Aharoni, A, Zarivach, R.
登録日2011-10-06
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
3HIH
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BU of 3hih by Molmil
Structure of human Plk1-PBD with glycerol and sulfate in the phophopeptide binding site
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Wlodawer, A, Moulaei, T.
登録日2009-05-20
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
3HIM
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BU of 3him by Molmil
The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A
分子名称: Probable transcriptional regulator
著者Stein, A.J, Binkowski, T.A, Evdokimova, E, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-05-20
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A
To be Published
2RBP
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BU of 2rbp by Molmil
2-(n-propylthio)ethanol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-(propylsulfanyl)ethanol, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3U4K
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BU of 3u4k by Molmil
Crystal structure of the receptor binding domain of plasmid-born adhesin MrkD1P of Klebsiella pneumoniae
分子名称: Fimbria adhesin protein
著者Rego, A.T, Waksman, G.
登録日2011-10-09
公開日2012-09-26
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the MrkD1P receptor binding domain of Klebsiella pneumoniae and identification of the human collagen V binding interface.
Mol.Microbiol., 86, 2012
2RC2
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BU of 2rc2 by Molmil
Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium
分子名称: 2-ethenyl-1-methylpyridinium, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
登録日2009-05-20
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HIO
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BU of 3hio by Molmil
Crystal structure of Ricin A-chain in complex with the cyclic tetranucleotide inhibitor, a transition state analogue
分子名称: 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Ricin, SULFATE ION
著者Ho, M, Sturm, M.B, Goldman, J.D, Almo, S.C, Schramm, V.L.
登録日2009-05-20
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins.
Proc.Natl.Acad.Sci.USA, 106, 2009
3TT6
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BU of 3tt6 by Molmil
Structure of ClpP from Bacillus subtilis in compressed state
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Lee, B.-G, Kim, M.K, Song, H.K.
登録日2011-09-14
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Structural insights into the conformational diversity of ClpP from Bacillus subtilis
Mol.Cells, 32, 2011
3U73
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BU of 3u73 by Molmil
Crystal structure of stabilized human uPAR mutant in complex with ATF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ...
著者Huang, M.D, Xu, X, Yuan, C.
登録日2011-10-13
公開日2012-04-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Crystal structure of the urokinase receptor in a ligand-free form.
J.Mol.Biol., 416, 2012
3TTX
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BU of 3ttx by Molmil
Structure of the F413K variant of E. coli KatE
分子名称: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
著者Loewen, P.C, Jha, V.
登録日2011-09-15
公開日2011-10-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
3HDZ
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BU of 3hdz by Molmil
Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors
分子名称: 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O.
登録日2009-05-07
公開日2009-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HFD
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BU of 3hfd by Molmil
Nucleosome Assembly Protein 1 from Plasmodium knowlesi
分子名称: Nucleosome assembly protein 1
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-05-11
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleosome Assembly Protein 1 from Plasmodium knowlesi
To be Published
2RBY
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BU of 2rby by Molmil
1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G
分子名称: 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, PHOSPHATE ION, ...
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
3HGD
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BU of 3hgd by Molmil
Crystal Structure of 2-Se-Thymidine Derivatized DNA
分子名称: 5'-D(*GP*(UMS)P*GP*(US3)P*AP*CP*AP*C)-3'
著者Sheng, J, Hassan, A.E, Zhang, W, Huang, Z.
登録日2009-05-13
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献High fidelity of base pairing by 2-selenothymidine in DNA.
J.Am.Chem.Soc., 132, 2010
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
分子名称: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
登録日2009-05-15
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3TX4
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BU of 3tx4 by Molmil
Crystal Structure of Mutant (C354A) M. tuberculosis LD-transpeptidase type 2
分子名称: Mycobacterium Tuberculosis LD-transpeptidase type 2
著者Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M.
登録日2011-09-22
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
3UAX
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BU of 3uax by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine
分子名称: GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ...
著者Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3HHN
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BU of 3hhn by Molmil
Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD
分子名称: Class I ligase ribozyme, self-ligation product, MAGNESIUM ION, ...
著者Shechner, D.M, Grant, R.A, Bagby, S.C, Bartel, D.P.
登録日2009-05-15
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.987 Å)
主引用文献Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
2R59
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BU of 2r59 by Molmil
Leukotriene A4 hydrolase complexed with inhibitor RB3041
分子名称: ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ...
著者Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C.
登録日2007-09-03
公開日2008-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
3UB6
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Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
2RDI
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BU of 2rdi by Molmil
Snapshots of a Y-family DNA polymerase in replication: Dpo4 in apo and binary/ternary complex forms
分子名称: DI(HYDROXYETHYL)ETHER, DNA polymerase IV, GLYCEROL
著者Wong, J.H.Y, Ling, H.
登録日2007-09-24
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Snapshots of a Y-family DNA polymerase in replication: substrate-induced conformational transitions and implications for fidelity of Dpo4.
J.Mol.Biol., 379, 2008
3HI7
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Crystal structure of human diamine oxidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, CALCIUM ION, ...
著者McGrath, A.P, Guss, J.M.
登録日2009-05-19
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009
2REF
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BU of 2ref by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA
分子名称: ACETYL COENZYME *A, CurA
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007

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