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2GX4
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BU of 2gx4 by Molmil
Crystal structure of SARS coronavirus 3CL protease inhibitor complex
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Hsu, M.F, Wang, A.H.-J.
Deposit date:2006-05-08
Release date:2007-05-08
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
J.Med.Chem., 49, 2006
292D
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BU of 292d by Molmil
INTERACTION BETWEEN THE LEFT-HANDED Z-DNA AND POLYAMINE:THE CRYSTAL STRUCTURE OF THE D(CG)3 AND N-(2-AMINOETHYL)-1,4-DIAMINOBUTANE COMPLEX
Descriptor: 1-(AMINOETHYL)AMINO-4-AMINOBUTANE, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Ohishi, H, Kunisawa, S, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Tomita, K, Hakoshima, T.
Deposit date:1991-10-09
Release date:1996-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Interaction between the left-handed Z-DNA and polyamine. The crystal structure of the d(CG)3 and N-(2-aminoethyl)-1,4-diamino-butane complex.
FEBS Lett., 284, 1991
236D
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BU of 236d by Molmil
CRYSTAL STRUCTURE OF FOUR MORPHOLINO-DOXORUBICIN ANTICANCER DRUGS COMPLEXED WITH D(CGTACG) AND D(CGATCG): IMPLICATIONS IN DRUG-DNA CROSSLINK
Descriptor: 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1995-06-22
Release date:1996-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of four morpholino-doxorubicin anticancer drugs complexed with d(CGTACG) and d(CGATCG): implications in drug-DNA crosslink.
J.Biomol.Struct.Dyn., 13, 1995
215D
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BU of 215d by Molmil
CRYSTAL STRUCTURE OF FOUR MORPHOLINO-DOXORUBICIN ANTICANCER DRUGS COMPLEXED WITH D(CGTACG) AND D(CGATCG): IMPLICATIONS IN DRUG-DNA CROSSLINK
Descriptor: 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1995-06-22
Release date:1996-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of four morpholino-doxorubicin anticancer drugs complexed with d(CGTACG) and d(CGATCG): implications in drug-DNA crosslink.
J.Biomol.Struct.Dyn., 13, 1995
277D
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BU of 277d by Molmil
SUBSTITUTIONS AT C2' OF DAUNOSAMINE IN THE ANTICANCER DAUNORUBICIN ALTER ITS DNA-BINDING SEQUENCE SPECIFICITY
Descriptor: 2'-BROMO-4'-EPIDAUNORUBICIN, 5'-D(*CP*GP*CP*(G49)P*CP*G)-3'
Authors:Gao, Y.-G, Priebe, W, Wang, A.H.-J.
Deposit date:1996-07-22
Release date:1996-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substitutions at C2' of daunosamine in the anticancer drug daunorubicin alter its DNA-binding sequence specificity.
Eur.J.Biochem., 240, 1996
264D
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BU of 264d by Molmil
THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR-GROOVE-BINDING DRUG HOECHST 33258
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Vega, M.C, Garcia-Saez, I, Aymami, J, Eritja, R, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Coll, M.
Deposit date:1994-09-22
Release date:1995-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258.
Eur.J.Biochem., 222, 1994
3AMM
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BU of 3amm by Molmil
Cellotetraose complex of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3AMH
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BU of 3amh by Molmil
crystal structure of cellulase 12A from Thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3AMP
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BU of 3amp by Molmil
E134C-Cellotetraose complex of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3AMQ
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BU of 3amq by Molmil
E134C-Cellobiose co-crystal of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3AMN
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BU of 3amn by Molmil
E134C-Cellobiose complex of cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
Deposit date:2010-08-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
3C12
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BU of 3c12 by Molmil
Crystal Structure of FlgD from Xanthomonas campestris: Insights into the Hook Capping Essential for Flagellar Assembly
Descriptor: Flagellar protein
Authors:Kuo, W.-T, Chin, K.-H, Lo, W.-T, Chou, S.-H.
Deposit date:2008-01-22
Release date:2008-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of the C-terminal domain of a flagellar hook-capping protein from Xanthomonas campestris
J.Mol.Biol., 381, 2008
1AE2
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BU of 1ae2 by Molmil
MUTANT L32R OF GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN)
Descriptor: GENE V PROTEIN
Authors:Su, S, Gao, Y.-G, Zhang, H, Terwilliger, T.C, Wang, A.H.-J.
Deposit date:1997-03-04
Release date:1997-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analyses of the stability and function of three surface mutants (R82C, K69H, and L32R) of the gene V protein from Ff phage by X-ray crystallography.
Protein Sci., 6, 1997
1AE3
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BU of 1ae3 by Molmil
MUTANT R82C OF GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN)
Descriptor: GENE V PROTEIN
Authors:Su, S, Gao, Y.-G, Zhang, H, Terwilliger, T.C, Wang, A.H.-J.
Deposit date:1997-03-04
Release date:1997-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analyses of the stability and function of three surface mutants (R82C, K69H, and L32R) of the gene V protein from Ff phage by X-ray crystallography.
Protein Sci., 6, 1997
1AL9
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BU of 1al9 by Molmil
NMR STUDY OF DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN, MINIMIZED AVERAGE STRUCTURE
Descriptor: 4-METHYLBENZYL-N-BIS[DAUNOMYCIN], DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3')
Authors:Robinson, H, Wang, A.H.-J.
Deposit date:1997-06-12
Release date:1997-09-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Binding of two novel bisdaunorubicins to DNA studied by NMR spectroscopy.
Biochemistry, 36, 1997
1AU6
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BU of 1au6 by Molmil
SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3')
Authors:Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J.
Deposit date:1997-09-11
Release date:1998-02-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA.
Nat.Struct.Biol., 2, 1995
1AU5
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BU of 1au5 by Molmil
SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTG*G*TCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: Cisplatin, DNA (5'-D(*CP*CP*TP*GP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*CP*AP*GP*G)-3')
Authors:Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Wang, A.H.-J.
Deposit date:1997-09-11
Release date:1998-02-25
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Structure and isomerization of an intrastrand cisplatin-cross-linked octamer DNA duplex by NMR analysis.
Biochemistry, 34, 1995
1AMD
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BU of 1amd by Molmil
NMR STUDY OF DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE
Descriptor: BIS-DAUNORUBICIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3')
Authors:Robinson, H, Wang, A.H.-J.
Deposit date:1997-06-12
Release date:1997-09-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Binding of two novel bisdaunorubicins to DNA studied by NMR spectroscopy.
Biochemistry, 36, 1997
2Z7H
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BU of 2z7h by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-210
Descriptor: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID)
Authors:Cao, R, Chen, C.K.-M, Guo, R.-T, Hudock, M, Wang, A.H.-J, Oldfield, E.
Deposit date:2007-08-23
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 2008
2ZXB
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BU of 2zxb by Molmil
alpha-L-fucosidase complexed with inhibitor, ph-6FNJ
Descriptor: (2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol, Alpha-L-fucosidase, putative
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-22
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
380D
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BU of 380d by Molmil
BINDING OF THE MODIFIED DAUNORUBICIN WP401 ADJACENT TO A T-G BASE PAIR INDUCES THE REVERSE WATSON-CRICK CONFORMATION: CRYSTAL STRUCTURES OF THE WP401-TGGCCG AND WP401-CGG[BR5C]CG COMPLEXES
Descriptor: 2'-BROMO-4'-EPIDAUNORUBICIN, DNA (5'-D(*CP*GP*(G49)P*(CBR)P*CP*G)-3')
Authors:Dutta, R, Gao, Y.-G, Priebe, W, Wang, A.H.-J.
Deposit date:1998-02-18
Release date:1998-07-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of the modified daunorubicin WP401 adjacent to a T-G base pair induces the reverse Watson-Crick conformation: crystal structures of the WP401-TGGCCG and WP401-CGG[br5C]CG complexes.
Nucleic Acids Res., 26, 1998
2ZXA
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BU of 2zxa by Molmil
alpha-L-fucosidase complexed with inhibitor, FNJ-acetyl
Descriptor: Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-22
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
2ZX5
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BU of 2zx5 by Molmil
alpha-L-fucosidase complexed with inhibitor, F10
Descriptor: 3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide, Alpha-L-fucosidase, putative
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-19
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
2ZWZ
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BU of 2zwz by Molmil
alpha-L-fucosidase complexed with inhibitor, Core1
Descriptor: (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol, Alpha-L-fucosidase, putative
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-19
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
2ZXD
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BU of 2zxd by Molmil
alpha-L-fucosidase complexed with inhibitor, iso-6FNJ
Descriptor: (2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol, Alpha-L-fucosidase, putative
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-22
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010

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