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4U5T
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BU of 4u5t by Molmil
Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
Descriptor: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
Authors:Stagno, J.R, Ji, X.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
6DPN
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BU of 6dpn by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 200 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7R8J
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BU of 7r8j by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' p guide DNA in the presence of Mg2+
Descriptor: Argonaute, DNA (5'-D(*TP*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-06-26
Release date:2022-07-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8G
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BU of 7r8g by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' OH guide DNA
Descriptor: Argonaute, DNA (5'-D(*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-06-26
Release date:2022-07-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8H
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BU of 7r8h by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' p guide DNA
Descriptor: Argonaute, DNA (5'-D(*TP*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-06-26
Release date:2022-07-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
8HEV
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BU of 8hev by Molmil
C12 portal in HCMV B-capsid
Descriptor: Portal protein, Unknown peptide
Authors:Li, Z, Yu, X.
Deposit date:2022-11-08
Release date:2023-04-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEU
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BU of 8heu by Molmil
C12 portal in HCMV A-capsid
Descriptor: Portal protein
Authors:Li, Z, Yu, X.
Deposit date:2022-11-08
Release date:2023-04-26
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
6DIE
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BU of 6die by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak
Descriptor: 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
Deposit date:2018-05-23
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
5W0U
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BU of 5w0u by Molmil
Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*CP*CP*TP*TP*GP*AP*AP*C)-3'), ...
Authors:Qiao, Q, Wang, L, Wu, H.
Deposit date:2017-05-31
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:AID Recognizes Structured DNA for Class Switch Recombination.
Mol. Cell, 67, 2017
5W1C
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BU of 5w1c by Molmil
Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*CP*CP*TP*TP*GP*AP*AP*C)-3'), ...
Authors:Qiao, Q, Wang, L, Wu, H.
Deposit date:2017-06-02
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:AID Recognizes Structured DNA for Class Switch Recombination.
Mol. Cell, 67, 2017
8H1J
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BU of 8h1j by Molmil
Cryo-EM structure of the TnpB-omegaRNA-target DNA ternary complex
Descriptor: Non-target strand, RNA-guided DNA endonuclease TnpB, Target strand, ...
Authors:Nakagawa, R, Hirano, H, Omura, S, Nureki, O.
Deposit date:2022-10-03
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the transposon-associated TnpB enzyme.
Nature, 616, 2023
2GB9
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BU of 2gb9 by Molmil
d(CGTACG)2 crosslinked bis-acridine complex
Descriptor: 5'-D(*CP*GP*TP*AP*CP*G)-3', 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}, STRONTIUM ION
Authors:Hopcroft, N.H, Brogden, A.L, Searcey, M, Cardin, C.J.
Deposit date:2006-03-10
Release date:2006-04-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystallographic study of DNA duplex cross-linking: simultaneous binding to two d(CGTACG)2 molecules by a bis(9-aminoacridine-4-carboxamide) derivative.
Nucleic Acids Res., 34, 2006
6DLK
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BU of 6dlk by Molmil
Crystal structure of DNA polymerase III subunit beta from Rickettsia rickettsii
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-01
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of DNA polymerase III subunit beta from Rickettsia rickettsii
to be published
6DLY
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BU of 6dly by Molmil
Crystal structure of DNA polymerase III subunit beta from Mycobacterium marinum in complex with a natural product
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, Natural product peptide
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-04
Release date:2019-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of DNA polymerase III subunit beta from Mycobacterium marinum in complex with a natural product
to be published
8H9D
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BU of 8h9d by Molmil
Crystal structure of Cas12a protein
Descriptor: Cas12A, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3'), ...
Authors:Jianwei, L, Jobichen, C, Sivaraman, J.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
5E5P
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BU of 5e5p by Molmil
Wild type I-SmaMI in the space group of C121
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease
Authors:Shen, B.W.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
1I4V
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BU of 1i4v by Molmil
SOLUTION STRUCTURE OF THE UMUD' HOMODIMER
Descriptor: UMUD' PROTEIN
Authors:Ferentz, A.E, Walker, G.C, Wagner, G.
Deposit date:2001-02-23
Release date:2001-08-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Converting a DNA damage checkpoint effector (UmuD2C) into a lesion bypass polymerase (UmuD'2C).
EMBO J., 20, 2001
7RCF
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BU of 7rcf by Molmil
Fourth stage reengineered variant of I-OnuI with stability enhancing substitutions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCG
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BU of 7rcg by Molmil
I-OnuI_e-hPD1-f final stage reengineered variant of I-OnuI
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (26-MER), ...
Authors:Smiley, A.T, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCD
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BU of 7rcd by Molmil
Second stage reengineered variant of I-OnuI targeting human PD1 gene with activity enhancing substitutions
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-c
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCE
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BU of 7rce by Molmil
Third stage reengineered variant of I-OnuI with specificity enhancing substitutions
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-d, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCC
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BU of 7rcc by Molmil
First stage engineered variant of I-OnuI after initial reassembly
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-b
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
8GIS
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BU of 8gis by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8GIR
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BU of 8gir by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.2mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8GIO
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BU of 8gio by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.1mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024

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