1Z5T
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![BU of 1z5t by Molmil](/molmil-images/mine/1z5t) | Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I. | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION | Authors: | Moulaei, T, Maehigashi, T, Lountos, G.T, Komeda, S, Watkins, D, Stone, M.P, Marky, L.A, Li, J.S, Gold, B, Williams, L.D. | Deposit date: | 2005-03-19 | Release date: | 2005-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of B-DNA with cations tethered in the major groove. Biochemistry, 44, 2005
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1JGR
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![BU of 1jgr by Molmil](/molmil-images/mine/1jgr) | Crystal Structure Analysis of the B-DNA Dodecamer CGCGAATTCGCG with Thallium Ions. | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, THALLIUM (I) ION | Authors: | Howerton, S.B, Sines, C.C, VanDerveer, D, Williams, L.D. | Deposit date: | 2001-06-26 | Release date: | 2001-09-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Locating monovalent cations in the grooves of B-DNA. Biochemistry, 40, 2001
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2CKM
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![BU of 2ckm by Molmil](/molmil-images/mine/2ckm) | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE | Authors: | Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L. | Deposit date: | 2006-04-20 | Release date: | 2006-09-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J. Med. Chem., 49, 2006
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1P20
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1S2R
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![BU of 1s2r by Molmil](/molmil-images/mine/1s2r) | A High Resolution Crystal Structure of [d(CGCAAATTTGCG)]2 | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3', SPERMINE | Authors: | Woods, K.K, Maehigashi, T, Howerton, S.B, Tannenbaum, S, Williams, L.D. | Deposit date: | 2004-01-09 | Release date: | 2005-01-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High-resolution structure of an extended A-tract: [d(CGCAAATTTGCG)]2. J.Am.Chem.Soc., 126, 2004
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1D17
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![BU of 1d17 by Molmil](/molmil-images/mine/1d17) | DNA-NOGALAMYCIN INTERACTIONS | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*AP*(5CM)P*G)-3'), NOGALAMYCIN | Authors: | Egli, M, Williams, L.D, Frederick, C.A, Rich, A. | Deposit date: | 1990-08-08 | Release date: | 1991-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA-nogalamycin interactions. Biochemistry, 30, 1991
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1D32
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![BU of 1d32 by Molmil](/molmil-images/mine/1d32) | DRUG-INDUCED DNA REPAIR: X-RAY STRUCTURE OF A DNA-DITERCALINIUM COMPLEX | Descriptor: | DITERCALINIUM, DNA (5'-D(*CP*GP*CP*G)-3') | Authors: | Gao, Q, Williams, L.D, Egli, M, Rabinovich, D, Chen, S.-L, Quigley, G.J, Rich, A. | Deposit date: | 1991-01-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Drug-induced DNA repair: X-ray structure of a DNA-ditercalinium complex. Proc.Natl.Acad.Sci.USA, 88, 1991
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152D
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![BU of 152d by Molmil](/molmil-images/mine/152d) | DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | Authors: | Lipscomb, L.A, Peek, M.E, Zhou, F.X, Bertrand, J.A, VanDerveer, D, Williams, L.D. | Deposit date: | 1993-12-13 | Release date: | 1994-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes. Biochemistry, 33, 1994
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151D
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![BU of 151d by Molmil](/molmil-images/mine/151d) | DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN | Authors: | Lipscomb, L.A, Peek, M.E, Zhou, F.X, Bertrand, J.A, VanDerveer, D, Williams, L.D. | Deposit date: | 1993-12-13 | Release date: | 1994-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes. Biochemistry, 33, 1994
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428D
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![BU of 428d by Molmil](/molmil-images/mine/428d) | STRUCTURE OF THE POTASSIUM FORM OF CGCGAATTCGCG: DNA DEFORMATION BY ELECTROSTATIC COLLAPSE AROUND SMALL CATIONS | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Shui, X, Sines, C.C, McFail-Isom, L, VanDerveer, D, Williams, L.D. | Deposit date: | 1998-09-28 | Release date: | 1998-10-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the potassium form of CGCGAATTCGCG: DNA deformation by electrostatic collapse around inorganic cations. Biochemistry, 37, 1998
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183D
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![BU of 183d by Molmil](/molmil-images/mine/183d) | X-RAY STRUCTURE OF A DNA DECAMER CONTAINING 7, 8-DIHYDRO-8-OXOGUANINE | Descriptor: | DNA (5'-D(*CP*CP*AP*(8OG)P*CP*GP*CP*TP*GP*G)-3') | Authors: | Lipscomb, L.A, Peek, M.E, Morningstar, M.L, Verghis, S.M, Miller, E.M, Rich, A, Essigmann, J.M, Williams, L.D. | Deposit date: | 1994-08-01 | Release date: | 1995-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structure of a DNA decamer containing 7,8-dihydro-8-oxoguanine. Proc.Natl.Acad.Sci.USA, 92, 1995
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1D12
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![BU of 1d12 by Molmil](/molmil-images/mine/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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1DOU
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![BU of 1dou by Molmil](/molmil-images/mine/1dou) | MONOVALENT CATIONS SEQUESTER WITHIN THE A-TRACT MINOR GROOVE OF [D(CGCGAATTCGCG)]2 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Woods, K.K, McFail-Isom, L, Sines, C.C, Howerton, S.B, Stephens, R.K, Williams, L.D. | Deposit date: | 1999-12-21 | Release date: | 1999-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Monovalent Cations Sequester within the A-Tract Minor Groove of [d(CGCGAATTCGCG)]2 J.Am.Chem.Soc., 122, 2000
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1D10
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![BU of 1d10 by Molmil](/molmil-images/mine/1d10) | STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), 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 (1.5 Å) | Cite: | Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin. Biochemistry, 29, 1990
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1D48
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![BU of 1d48 by Molmil](/molmil-images/mine/1d48) | STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | Authors: | Egli, M, Williams, L.D, Gao, Q, Rich, A. | Deposit date: | 1991-09-11 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution. Biochemistry, 30, 1991
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1AGL
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![BU of 1agl by Molmil](/molmil-images/mine/1agl) | STRUCTURE OF A DNA-BISDAUNOMYCIN COMPLEX | Descriptor: | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN], DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | Authors: | Hu, G.G, Shui, X, Leng, F, Priebe, W, Chaires, J.B, Williams, L.D. | Deposit date: | 1997-03-25 | Release date: | 1997-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a DNA-bisdaunomycin complex. Biochemistry, 36, 1997
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355D
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![BU of 355d by Molmil](/molmil-images/mine/355d) | THE B-DNA DODECAMER AT HIGH RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Hu, L.D, Shui, X, McFail-Isom, L, Williams, G.G. | Deposit date: | 1997-10-07 | Release date: | 1997-10-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The B-DNA dodecamer at high resolution reveals a spine of water on sodium. Biochemistry, 37, 1998
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1MAY
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![BU of 1may by Molmil](/molmil-images/mine/1may) | BETA-TRYPSIN PHOSPHONATE INHIBITED | Descriptor: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | Authors: | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | Deposit date: | 1996-02-06 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models. Biochemistry, 35, 1996
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1MAX
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![BU of 1max by Molmil](/molmil-images/mine/1max) | BETA-TRYPSIN PHOSPHONATE INHIBITED | Descriptor: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | Authors: | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | Deposit date: | 1996-02-06 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models. Biochemistry, 35, 1996
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1UT6
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![BU of 1ut6 by Molmil](/molmil-images/mine/1ut6) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-12-04 | Release date: | 2005-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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7LVB
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![BU of 7lvb by Molmil](/molmil-images/mine/7lvb) | CHOLERA TOXIN B SUBUNIT WITH ATTACHED SIV EPITOPE | Descriptor: | CHLORIDE ION, Cholera enterotoxin B-subunit,Surface protein gp120, TRIETHYLENE GLYCOL, ... | Authors: | Patskovsky, Y, Cardozo, T.J. | Deposit date: | 2021-02-24 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cholera toxin B scaffolded, focused SIV V2 epitope elicits antibodies that influence the risk of SIV mac251 acquisition in macaques. Front Immunol, 14, 2023
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2CMF
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![BU of 2cmf by Molmil](/molmil-images/mine/2cmf) | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | Authors: | Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L. | Deposit date: | 2006-05-08 | Release date: | 2006-09-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J. Med. Chem., 49, 2006
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1ODC
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![BU of 1odc by Molmil](/molmil-images/mine/1odc) | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-02-15 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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6VBP
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![BU of 6vbp by Molmil](/molmil-images/mine/6vbp) | |
6VBQ
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![BU of 6vbq by Molmil](/molmil-images/mine/6vbq) | |