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6LX1
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BU of 6lx1 by Molmil
Potato D-enzyme complexed with Acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4-alpha-glucanotransferase, chloroplastic/amyloplastic, ...
Authors:Unno, H, Imamura, K.
Deposit date:2020-02-10
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
Descriptor: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-03-17
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
2XWY
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BU of 2xwy by Molmil
Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
Descriptor: (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Baiocco, P.
Deposit date:2010-11-06
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
3HVO
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BU of 3hvo by Molmil
Structure of the genotype 2B HCV polymerase bound to a NNI
Descriptor: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, Genome polyprotein
Authors:Rydberg, E.H, Carfi, A.
Deposit date:2009-06-16
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors
To be Published
2WHO
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BU of 2who by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE FROM 1B GENOTYPE IN COMPLEX WITH A NON-NUCLEOSIDE INHIBITOR
Descriptor: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-05-05
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and biological evaluation of a series of 1H-benzo[de]isoquinoline-1,3(2H)-diones as hepatitis C virus NS5B polymerase inhibitors.
J. Med. Chem., 52, 2009
1OL0
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BU of 1ol0 by Molmil
Crystal structure of a camelised human VH
Descriptor: GLYCEROL, IMMUNOGLOBULIN G, SULFATE ION
Authors:Dottorini, T, Vaughan, C.K, Walsh, M.A, Losurdo, P, Sollazzo, M.
Deposit date:2003-08-02
Release date:2004-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a Human Vh: Requirements for Maintaining a Monomeric Fragment
Biochemistry, 43, 2004
6WCR
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BU of 6wcr by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule F0045(S)
Descriptor: (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:kadam, R.U, Wilson, I.A.
Deposit date:2020-03-31
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
3GSZ
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BU of 3gsz by Molmil
Structure of the genotype 2B HCV polymerase
Descriptor: RNA-directed RNA polymerase
Authors:Rydberg, E.H, Carfi, A.
Deposit date:2009-03-27
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for resistance of the genotype 2b hepatitis C virus NS5B polymerase to site A non-nucleoside inhibitors.
J.Mol.Biol., 390, 2009
2BRL
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BU of 2brl by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
Descriptor: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2BRK
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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
3WNO
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BU of 3wno by Molmil
D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltooctaose
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Kobayashi, M, Kimura, A, Funane, K.
Deposit date:2013-12-10
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
3WUS
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BU of 3wus by Molmil
Crystal Structure of the Vif-Binding Domain of Human APOBEC3F
Descriptor: DNA dC->dU-editing enzyme APOBEC-3F, ZINC ION
Authors:Nakashima, M, Kawamura, T, Ode, H, Watanabe, N, Iwatani, Y.
Deposit date:2014-05-02
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Insights into HIV-1 Vif-APOBEC3F Interaction.
J.Virol., 90, 2015
3WNK
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BU of 3wnk by Molmil
Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase
Descriptor: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
Authors:Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Kobayashi, M, Kimura, A, Funane, K.
Deposit date:2013-12-10
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
5TNN
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BU of 5tnn by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNK
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BU of 5tnk by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNL
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BU of 5tnl by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyhexane hydrolysis intermediate
Descriptor: (2R)-hexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNG
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BU of 5tng by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNR
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BU of 5tnr by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 16,17-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNF
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BU of 5tnf by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 19,20-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNQ
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BU of 5tnq by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNH
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BU of 5tnh by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNS
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BU of 5tns by Molmil
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
Descriptor: (1R,6S)-7-oxabicyclo[4.1.0]heptane, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNJ
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BU of 5tnj by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 4-Vinyl-1-cyclohexene 1,2-epoxide hydrolysis intermediate
Descriptor: (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol, (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol, (1S,2S,4R)-4-ethenylcyclohexane-1,2-diol, ...
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TND
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BU of 5tnd by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate
Descriptor: (1R,2R)-cyclohexane-1,2-diol, (1S,2S)-cyclohexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNM
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BU of 5tnm by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017

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数据于2024-07-17公开中

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