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1XC9
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BU of 1xc9 by Molmil
Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks replication
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA polymerase I, DNA primer strand, ...
Authors:Hsu, G.W, Huang, X, Luneva, N.P, Geacintov, N.E, Beese, L.S.
Deposit date:2004-09-01
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a High Fidelity DNA Polymerase Bound to a Benzo[a]pyrene Adduct That Blocks Replication
J.Biol.Chem., 280, 2005
1XT5
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BU of 1xt5 by Molmil
Crystal Structure of VCBP3, domain 1, from Branchiostoma floridae
Descriptor: SULFATE ION, variable region-containing chitin-binding protein 3
Authors:Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Allaire, M, Jakoncic, J, Stojanoff, V, Litman, G.W, Ostrov, D.A.
Deposit date:2004-10-21
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus.
Nat.Immunol., 7, 2006
1PPN
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BU of 1ppn by Molmil
STRUCTURE OF MONOCLINIC PAPAIN AT 1.60 ANGSTROMS RESOLUTION
Descriptor: METHANOL, PAPAIN, UNKNOWN LIGAND
Authors:Pickersgill, R.W, Harris, G.W, Garman, E.
Deposit date:1991-10-25
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Monoclinic Papain at 1.60 Angstroms Resolution
Acta Crystallogr.,Sect.B, 48, 1992
1Q27
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BU of 1q27 by Molmil
NMR Solution Structure of DR0079: An hypothetical Nudix protein from D. radiodurans
Descriptor: Putative Nudix hydrolase DR0079
Authors:Buchko, G.W, Ni, S, Holbrook, S.R, Kennedy, M.A.
Deposit date:2003-07-23
Release date:2003-08-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of hypothetical Nudix hydrolase DR0079 from extremely radiation-resistant Deinococcus radiodurans bacterium
Proteins, 56, 2004
5TX8
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BU of 5tx8 by Molmil
Solution structure of the de novo mini protein gHH_44
Descriptor: HH2
Authors:Buchko, G.W, Bahl, C.D, Baker, D.
Deposit date:2016-11-15
Release date:2017-09-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides.
Protein Sci., 27, 2018
5TUD
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BU of 5tud by Molmil
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
Descriptor: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
Authors:Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
Deposit date:2016-11-05
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UIW
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BU of 5uiw by Molmil
Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, C-C chemokine receptor type 5,Rubredoxin chimera, C-C motif chemokine 5, ...
Authors:Zheng, Y, Qin, L, Han, G.W, Gustavsson, M, Kawamura, T, Stevens, R.C, Cherezov, V, Kufareva, I, Handel, T.M.
Deposit date:2017-01-15
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
Immunity, 46, 2017
5UNH
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BU of 5unh by Molmil
Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide)
Descriptor: N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor
Authors:Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
Deposit date:2017-01-30
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5VHT
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BU of 5vht by Molmil
E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine
Descriptor: Chorismate Mutase
Authors:Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G.
Deposit date:2017-04-13
Release date:2017-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid.
J. Am. Chem. Soc., 139, 2017
5VEX
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BU of 5vex by Molmil
Structure of the human GLP-1 receptor complex with NNC0640
Descriptor: 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera
Authors:Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
Deposit date:2017-04-05
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ...
Authors:Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
5V56
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BU of 5v56 by Molmil
2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
Authors:Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
Deposit date:2017-03-13
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
5UNG
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BU of 5ung by Molmil
XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ...
Authors:Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
Deposit date:2017-01-30
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5V57
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BU of 5v57 by Molmil
3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
Authors:Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
Deposit date:2017-03-13
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
5UJ5
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BU of 5uj5 by Molmil
Solution structure of the oxidized iron-sulfur protein adrenodoxin from Encephalitozoon cuniculi. Seattle Structural Genomics Center for Infectious Disease target EncuA.00705.a
Descriptor: Adrenodoxin, FE2/S2 (INORGANIC) CLUSTER
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-17
Release date:2017-02-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure for an Encephalitozoon cuniculi adrenodoxin-like protein in the oxidized state.
Protein Sci., 29, 2020
5V2C
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BU of 5v2c by Molmil
RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Wang, J, Wiwczar, J.M, Brudvig, G.W.
Deposit date:2017-03-03
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
5VBL
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BU of 5vbl by Molmil
Structure of apelin receptor in complex with agonist peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor,Rubredoxin,Apelin receptor Chimera, ZINC ION, ...
Authors:Ma, Y, Yue, Y, Ma, Y, Zhang, Q, Zhou, Q, Song, Y, Shen, Y, Li, X, Ma, X, Li, C, Hanson, M.A, Han, G.W, Sickmier, E.A, Swaminath, G, Zhao, S, Stevems, R.C, Hu, L.A, Zhong, W, Zhang, M, Xu, F.
Deposit date:2017-03-29
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Apelin Control of the Human Apelin Receptor
Structure, 25, 2017
5WF5
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BU of 5wf5 by Molmil
Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
5UNF
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BU of 5unf by Molmil
XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl])
Descriptor: Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
Authors:Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
Deposit date:2017-01-30
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5WF6
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BU of 5wf6 by Molmil
Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
7PQ0
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BU of 7pq0 by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B
Descriptor: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
Authors:Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
Deposit date:2021-09-15
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
7PPZ
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BU of 7ppz by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A
Descriptor: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
Authors:Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
Deposit date:2021-09-15
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
7Q7S
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BU of 7q7s by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
7RCV
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BU of 7rcv by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Gisriel, C.J, Brudvig, G.W.
Deposit date:2021-07-08
Release date:2021-12-29
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
1JB8
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BU of 1jb8 by Molmil
The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation
Descriptor: 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'
Authors:Han, G.W, Kopka, M.L, Langs, D, Dickerson, R.E.
Deposit date:2001-06-02
Release date:2003-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structure of an RNADNA hybrid reveals intermolecular intercalation: Dimer formation by base-pair swapping
Proc.Natl.Acad.Sci.USA, 100, 2003

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数据于2024-09-18公开中

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