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1DA5
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Solution structure of a DNA Duplex containing the CIS-PT(NH3)2[D(-GTG-)-N7-(G)-N7(G)N7(G)]Adduct as determined with high field NMR And molecular mechanics/dynamics
Descriptor: Cisplatin, DNA (5'-D(P*CP*TP*CP*TP*AP*GP*TP*GP*CP*TP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*CP*AP*CP*TP*AP*GP*AP*G)-3')
Authors:Van Garderen, C.J, Van Houte, L.P.A.
Deposit date:1993-01-13
Release date:1994-01-31
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:The solution structure of a DNA duplex containing the cis-Pt(NH3)2[d(-GTG-)-N7(G),N7(G)] adduct, as determined with high-field NMR and molecular mechanics/dynamics.
Eur.J.Biochem., 225, 1994
1DA4
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BU of 1da4 by Molmil
Solution structure of a DNA duplex containing the CIS-PT(NH3)2[D(-GTG-)-N7-(G)-N7(G)N7(G)]Adduct as determined with high field NMR and molecular mechanics/dynamics
Descriptor: Cisplatin, DNA (5'-D(P*CP*TP*CP*TP*AP*GP*TP*GP*CP*TP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*CP*AP*CP*TP*AP*GP*AP*G)-3')
Authors:Van Garderen, C.J, Van Houte, L.P.A.
Deposit date:1993-01-13
Release date:1994-01-31
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:The solution structure of a DNA duplex containing the cis-Pt(NH3)2[d(-GTG-)-N7(G),N7(G)] adduct, as determined with high-field NMR and molecular mechanics/dynamics.
Eur.J.Biochem., 225, 1994
8ES6
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BU of 8es6 by Molmil
Crystal structure of an unusual amidase ClbL from colibactin gene cluster
Descriptor: Colibactin biosynthesis amidase ClbL
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2022-10-13
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin.
Acta Crystallogr D Struct Biol, 79, 2023
1D97
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BU of 1d97 by Molmil
CHIRAL PHOSPHOROTHIOATE ANALOGUES OF B-DNA: THE CRYSTAL STRUCTURE OF RP-D(GP(S) CPGP(S)CPGP(S)C)
Descriptor: DNA (5'-D(RP*GP*(SC)P*GP*(SC)P*GP*(SC))-3')
Authors:Cruse, W.B.T, Salisbury, S.A, Brown, T, Cosstick, R, Eckstein, F, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Chiral phosphorothioate analogues of B-DNA. The crystal structure of Rp-d[Gp(S)CpGp(S)CpGp(S)C].
J.Mol.Biol., 192, 1986
7OBJ
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BU of 7obj by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with cyclic di-AMP (c-di-AMP)
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Membrane-associated protein slr1513
Authors:Selim, K.A, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-22
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diurnal metabolic control in cyanobacteria requires perception of second messenger signaling molecule c-di-AMP by the carbon control protein SbtB.
Sci Adv, 7, 2021
1D92
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BU of 1d92 by Molmil
REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3')
Authors:Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs.
J.Mol.Biol., 190, 1986
1D39
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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
7PSO
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BU of 7pso by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Avadomide (CC-122)
Descriptor: (3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2021-09-23
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Acta Crystallogr D Struct Biol, 78, 2022
1BJ6
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BU of 1bj6 by Molmil
1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES
Descriptor: DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION
Authors:Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P.
Deposit date:1998-07-03
Release date:1999-02-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC).
J.Mol.Biol., 283, 1998
6NHH
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BU of 6nhh by Molmil
Rhodobacter sphaeroides bc1 with azoxystrobin
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ...
Authors:Xia, D, Zhou, F, Yu, C.A.
Deposit date:2018-12-21
Release date:2019-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
J.Biol.Chem., 294, 2019
1D5C
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BU of 1d5c by Molmil
CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE
Authors:Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C.
Deposit date:1999-10-06
Release date:2000-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form.
Acta Crystallogr.,Sect.D, 56, 2000
6ZL4
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BU of 6zl4 by Molmil
the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis)
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Arkhipova, V, Slotboom, D.J, Guskov, A.
Deposit date:2020-06-30
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
7OQO
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BU of 7oqo by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ111
Descriptor: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
8FZW
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BU of 8fzw by Molmil
Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L.
Deposit date:2023-01-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
6ZHN
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BU of 6zhn by Molmil
3D electron diffraction structure of thaumatin from Thaumatococcus daniellii
Descriptor: CHLORIDE ION, Thaumatin-1
Authors:Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P.
Deposit date:2020-06-23
Release date:2021-01-27
Last modified:2024-10-16
Method:ELECTRON CRYSTALLOGRAPHY (2.76 Å)
Cite:Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
6ZLH
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BU of 6zlh by Molmil
the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (trans)
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Arkhipova, V, Slotboom, D.J, Guskov, A.
Deposit date:2020-06-30
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
1CFV
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BU of 1cfv by Molmil
MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI
Descriptor: ESTRONE BETA-D-GLUCURONIDE, MONOCLONAL ANTIBODY FV4155, ZINC ION
Authors:Trinh, C.H, Phillips, S.E.V.
Deposit date:1997-04-11
Release date:1997-10-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity.
Structure, 5, 1997
7RII
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BU of 7rii by Molmil
[I11L]hyen D crystal structure
Descriptor: Cyclotide hyen-D, PHOSPHATE ION
Authors:Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7OVK
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BU of 7ovk by Molmil
Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL
Authors:Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2021-06-15
Release date:2022-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
7P5L
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BU of 7p5l by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 - apo form
Descriptor: (2S)-2-hydroxybutanedioic acid, D-MALATE, Glucosyl-3-phosphoglycerate synthase
Authors:Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-07-14
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 - apo form
To Be Published
1E0W
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BU of 1e0w by Molmil
Xylanase 10A from Sreptomyces lividans. native structure at 1.2 angstrom resolution
Descriptor: ENDO-1,4-BETA-XYLANASE A
Authors:Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J.
Deposit date:2000-04-10
Release date:2001-04-05
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
1DSA
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BU of 1dsa by Molmil
(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES
Descriptor: 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3')
Authors:Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J.
Deposit date:1997-05-08
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
7PS9
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BU of 7ps9 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Iberdomide (CC-220)
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Hartmann, M.D.
Deposit date:2021-09-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Acta Crystallogr D Struct Biol, 78, 2022
1D38
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BU of 1d38 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, MAGNESIUM ION
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1991-04-23
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
7OHE
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A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3')
Authors:Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
Deposit date:2021-05-10
Release date:2021-11-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021

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