7D1H
 
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation | | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7CHZ
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7CHY
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7CGA
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1D39
 | | COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2 | | Descriptor: | COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION | | Authors: | Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S. | | Deposit date: | 1991-05-07 | | Release date: | 1992-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
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1D22
 | | BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON | | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | | Authors: | Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J. | | Deposit date: | 1990-08-08 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
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1D21
 | | BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON | | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), NOGALAMYCIN | | Authors: | Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J. | | Deposit date: | 1990-08-08 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
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7C8T
 | | Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221 | | 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: | Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
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7C8R
 | | Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770 | | Descriptor: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
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1D36
 | | FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION | | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1991-04-23 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct.
Proc.Natl.Acad.Sci.USA, 88, 1991
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1D38
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1D35
 | | FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(A40)P*CP*G)-3'), MAGNESIUM ION | | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1991-04-23 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct.
Proc.Natl.Acad.Sci.USA, 88, 1991
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1DNF
 | | EFFECTS OF 5-FLUOROURACIL/GUANINE WOBBLE BASE PAIRS IN Z-DNA. MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGFG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(UFP)P*G)-3'), MAGNESIUM ION | | Authors: | Coll, M, Saal, D, Frederick, C.A, Aymami, J, Rich, A, Wang, A.H.-J. | | Deposit date: | 1988-12-12 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Effects of 5-fluorouracil/guanine wobble base pairs in Z-DNA: molecular and crystal structure of d(CGCGFG).
Nucleic Acids Res., 17, 1989
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1DNE
 | | MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 2 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN | | Authors: | Coll, M, Aymami, J, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. | | Deposit date: | 1988-09-14 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular structure of the netropsin-d(CGCGATATCGCG) complex: DNA conformation in an alternating AT segment.
Biochemistry, 28, 1989
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1GKH
 | | MUTANT K69H 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 (1.7 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
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1D37
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1GVP
 | | 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: | 1997-02-26 | | Release date: | 1997-09-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 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
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1DCG
 | | THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J. | | Deposit date: | 1988-08-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG).
J.Biol.Chem., 264, 1989
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1DNH
 | | THE MOLECULAR STRUCTURE OF THE COMPLEX OF HOECHST 33258 AND THE DNA DODECAMER D(CGCGAATTCGCG) | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Teng, M.-K, Usman, N, Frederick, C.A, Wang, A.H.-J. | | Deposit date: | 1988-02-16 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The molecular structure of the complex of Hoechst 33258 and the DNA dodecamer d(CGCGAATTCGCG).
Nucleic Acids Res., 16, 1988
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1DNX
 | | RNA/DNA DODECAMER R(G)D(CGTATACGC) WITH MAGNESIUM BINDING SITES | | Descriptor: | DNA/RNA (5'-R(*GP)-D(*CP*GP*TP*AP*TP*AP*CP*GP*C)-3'), MAGNESIUM ION | | Authors: | Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J. | | Deposit date: | 1999-12-16 | | Release date: | 2000-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
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1FD5
 | | BINDING OF A MACROCYCLIC BISACRIDINE AND AMETANTRONE TO CGTACG INVOLVES SIMILAR UNUSUAL INTERCALATION PLATFORMS (BISACRIDINE COMPLEX) | | Descriptor: | COBALT (II) ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MACROCYCLIC-BIS-9-AMINO-ACRIDINE, ... | | Authors: | Yang, X.-L, Robinson, H, Gao, Y.-G, Wang, A.H.-J. | | Deposit date: | 2000-07-19 | | Release date: | 2000-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Binding of a macrocyclic bisacridine and ametantrone to CGTACG involves similar unusual intercalation platforms.
Biochemistry, 39, 2000
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1D14
 | | STRUCTURE OF 11-DEOXYDAUNOMYCIN BOUND TO DNA CONTAINING A PHOSPHOROTHIOATE | | Descriptor: | 6-DEOXYDAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(AS)P*CP*G)-3') | | Authors: | Williams, L.D, Egli, M, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Quigley, G.J, Wang, A.H.-J, Rich, A, Frederick, C.A. | | Deposit date: | 1989-10-20 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of 11-deoxydaunomycin bound to DNA containing a phosphorothioate.
J.Mol.Biol., 215, 1990
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1D86
 | | STRUCTURAL CONSEQUENCES OF A CARCINOGENIC ALKYLATION LESION ON DNA: EFFECT OF O6-ETHYL-GUANINE ON THE MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-NETROPSIN COMPLEX | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), NETROPSIN | | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1992-08-24 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural consequences of a carcinogenic alkylation lesion on DNA: effect of O6-ethylguanine on the molecular structure of the d(CGC[e6G]AATTCGCG)-netropsin complex.
Biochemistry, 31, 1992
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1D12
 | | STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN, SODIUM ION, ... | | Authors: | Frederick, C.A, Williams, L.D, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. | | Deposit date: | 1989-10-20 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin.
Biochemistry, 29, 1990
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1DNZ
 | | A-DNA DECAMER ACCGGCCGGT WITH MAGNESIUM BINDING SITES | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3'), MAGNESIUM ION | | Authors: | Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J. | | Deposit date: | 1999-12-17 | | Release date: | 2000-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
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