1FYE
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4BE6
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336D
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![BU of 336d by Molmil](/molmil-images/mine/336d) | INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | Authors: | Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I. | Deposit date: | 1997-06-24 | Release date: | 1998-04-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex. FEBS Lett., 398, 1996
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381D
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![BU of 381d by Molmil](/molmil-images/mine/381d) | 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(*TP*GP*(G49)P*CP*CP*G)-3'), DNA (5'-D(*TP*GP*GP*CP*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 (2.1 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
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380D
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![BU of 380d by Molmil](/molmil-images/mine/380d) | 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
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2Z7H
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![BU of 2z7h by Molmil](/molmil-images/mine/2z7h) | 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
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4EM1
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2DTN
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![BU of 2dtn by Molmil](/molmil-images/mine/2dtn) | Crystal structure of Helicobacter pylori undecaprenyl pyrophosphate synthase complexed with pyrophosphate | Descriptor: | DIPHOSPHATE, undecaprenyl pyrophosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Chen, C.L, Ko, T.P, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2006-07-13 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical characterization, crystal structure, and inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase To be Published
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2E8X
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![BU of 2e8x by Molmil](/molmil-images/mine/2e8x) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GPP | Descriptor: | GERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E93
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![BU of 2e93 by Molmil](/molmil-images/mine/2e93) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-629 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | Authors: | Guo, R.T, Cao, R, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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2GX4
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![BU of 2gx4 by Molmil](/molmil-images/mine/2gx4) | 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
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4KDP
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![BU of 4kdp by Molmil](/molmil-images/mine/4kdp) | TcaR-ssDNA complex crystal structure reveals the novel ssDNA binding mechanism of the MarR family proteins | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*GP*CP*AP*GP*CP*GP*CP*GP*CP*AP*GP*CP*CP*CP*TP*A)-3'), ... | Authors: | Chang, Y.M, Chen, C.K.-M, Wang, A.H.-J. | Deposit date: | 2013-04-25 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | TcaR-ssDNA complex crystal structure reveals new DNA binding mechanism of the MarR family proteins. Nucleic Acids Res., 42, 2014
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3DR2
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![BU of 3dr2 by Molmil](/molmil-images/mine/3dr2) | Structural and Functional Analyses of XC5397 from Xanthomonas campestris: A Gluconolactonase Important in Glucose Secondary Metabolic Pathways | Descriptor: | CALCIUM ION, Exported gluconolactonase | Authors: | Chen, C.-N, Chin, K.-H, Wang, A.H.-J, Chou, S.H. | Deposit date: | 2008-07-10 | Release date: | 2008-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The First Crystal Structure of Gluconolactonase Important in the Glucose Secondary Metabolic Pathways J.Mol.Biol., 384, 2008
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3EK5
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![BU of 3ek5 by Molmil](/molmil-images/mine/3ek5) | Unique GTP-binding Pocket and Allostery of UMP Kinase from a Gram-Negative Phytopathogen Bacterium | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Uridylate kinase | Authors: | Tu, J.-L, Chin, K.-H, Wang, A.H.-J, Chou, S.-H. | Deposit date: | 2008-09-18 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Unique GTP-Binding Pocket and Allostery of Uridylate Kinase from a Gram-Negative Phytopathogenic Bacterium J.Mol.Biol., 385, 2009
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3EK6
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403D
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![BU of 403d by Molmil](/molmil-images/mine/403d) | 5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(IGU)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J. | Deposit date: | 1998-06-10 | Release date: | 1998-07-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis. Biochemistry, 37, 1998
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440D
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1DSD
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1DSC
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1VAQ
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![BU of 1vaq by Molmil](/molmil-images/mine/1vaq) | Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by metal ion | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | Authors: | Hou, M.H, Robinson, H, Gao, Y.G, Wang, A.H.-J. | Deposit date: | 2004-02-19 | Release date: | 2004-06-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the [Mg2+-(chromomycin A3)2]-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by a metal ion Nucleic Acids Res., 32, 2004
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1WM3
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1WTO
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![BU of 1wto by Molmil](/molmil-images/mine/1wto) | Hyperthermophile chromosomal protein SAC7D double mutant V26F/M29F in complex with DNA GCGATCGC | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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1WTX
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![BU of 1wtx by Molmil](/molmil-images/mine/1wtx) | Hyperthermophile chromosomal protein SAC7D single mutant V26A in complex with DNA GTAATTAC | Descriptor: | 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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2Z52
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![BU of 2z52 by Molmil](/molmil-images/mine/2z52) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23 | Descriptor: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z7I
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![BU of 2z7i by Molmil](/molmil-images/mine/2z7i) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 | Descriptor: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-08-23 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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