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7SM4
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BU of 7sm4 by Molmil
[T:Hg2+/Ag+:T--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-25
公開日2022-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SM7
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BU of 7sm7 by Molmil
[U:Hg2+/Ag+:U--pH 9] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-25
公開日2022-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SM2
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BU of 7sm2 by Molmil
[T:Hg2+/Ag+:T--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-25
公開日2022-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.92 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SM3
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BU of 7sm3 by Molmil
[T:Hg2+/Ag+:T--pH 10] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-25
公開日2022-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SMA
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BU of 7sma by Molmil
[U:Hg2+/Ag+:U--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-25
公開日2022-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
1AXE
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BU of 1axe by Molmil
CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Chin, J.K, Goldstein, B.M.
登録日1997-10-15
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
3N25
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BU of 3n25 by Molmil
The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Fenton, A.W, Johnson, T.A, Holyoak, T.
登録日2010-05-17
公開日2010-07-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery.
Protein Sci., 19, 2010
4CWE
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BU of 4cwe by Molmil
Structural studies of rolling circle replication initiation protein from Staphylococcus aureus
分子名称: REPLICATION INITIATION PROTEIN
著者Carr, S.B, Phillips, S.E.V, Thomas, C.D.
登録日2014-04-02
公開日2015-04-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of Replication Initiation Proteins from Staphylococcal Antibiotic Resistance Plasmids Reveal Protein Asymmetry and Flexibility are Necessary for Replication.
Nucleic Acids Res., 44, 2016
4CWC
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BU of 4cwc by Molmil
Structure of Rolling Circle Replication Initiator Protein (RepDE) from Staphylococcus aureus
分子名称: REPLICATION INITIATION PROTEIN
著者Carr, S.B, Phillips, S.E.V, Thomas, C.D.
登録日2014-04-02
公開日2015-04-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Replication Initiation Proteins from Staphylococcal Antibiotic Resistance Plasmids Reveal Protein Asymmetry and Flexibility are Necessary for Replication.
Nucleic Acids Res., 44, 2016
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
4CV8
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BU of 4cv8 by Molmil
MPS1 kinase with 3-aminopyridin-2-one inhibitors
分子名称: 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK
著者Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K.
登録日2014-03-24
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
5ME6
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BU of 5me6 by Molmil
Crystal Structure of eiF4E from C. melo bound to a CAP analog
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic transcription initiation factor 4E
著者Querol-Audi, J, Silva, C, Miras, M, Aranda-Regules, M, Verdaguer, N.
登録日2016-11-14
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
4UZB
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BU of 4uzb by Molmil
KSHV LANA (ORF73) C-terminal domain mutant bound to LBS1 DNA (R1039Q, R1040Q, K1055E, K1109A, D1110A, A1121E, K1138S, K1140D, K1141D)
分子名称: LANA BINDING SITE 1 DNA, ORF 73
著者Hellert, J, Krausze, J, Luhrs, T.
登録日2014-09-05
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.865 Å)
主引用文献The 3D Structure of Kaposi Sarcoma Herpesvirus Lana C-Terminal Domain Bound to DNA.
Proc.Natl.Acad.Sci.USA, 112, 2015
3NCY
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BU of 3ncy by Molmil
X-ray crystal structure of an arginine agmatine antiporter (AdiC) in complex with a Fab fragment
分子名称: AdiC, Fab Heavy chain, Fab Light chain
著者Fang, Y, Jayaram, H, Shane, T, Komalkova-Partensky, L, Wu, F, Williams, C, Xiong, Y, Miller, C.
登録日2010-06-06
公開日2010-08-18
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a prokaryotic virtual proton pump at 3.2 A resolution.
Nature, 460, 2009
8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
分子名称: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-19
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
3NAY
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BU of 3nay by Molmil
PDK1 in complex with inhibitor MP6
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
8SXD
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BU of 8sxd by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
分子名称: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
7WHG
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BU of 7whg by Molmil
Lokiarchaeota gelsolin (2DGel) bound to two molecules of rabbit actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Robinson, R.C, Akil, C.
登録日2021-12-30
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural and biochemical evidence for the emergence of a calcium-regulated actin cytoskeleton prior to eukaryogenesis
Commun Biol, 5, 2022
4CIJ
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BU of 4cij by Molmil
Structure of Rolling Circle Replication Initiator Protein from Geobacillus stearothermophilus.
分子名称: GST REP
著者Carr, S.B, Phillips, S.E.V, Thomas, C.D.
登録日2013-12-10
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Replication Initiation Proteins from Staphylococcal Antibiotic Resistance Plasmids Reveal Protein Asymmetry and Flexibility are Necessary for Replication.
Nucleic Acids Res., 44, 2016
7WHF
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BU of 7whf by Molmil
Heimdallarchaeota gelsolin (2DGel) bound to rabbit actin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Robinson, R.C, Akil, C.
登録日2021-12-30
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical evidence for the emergence of a calcium-regulated actin cytoskeleton prior to eukaryogenesis
Commun Biol, 5, 2022
5WLR
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BU of 5wlr by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
7M09
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BU of 7m09 by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with blunt-ended DSB substrate and incoming dUMPNPP
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
4DU3
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BU of 4du3 by Molmil
RB69 DNA Polymerase Ternary Complex with dDTP Opposite dT with 3-Deaza-adenine at the N-1 Position of Template Strand
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-02-21
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
7M0B
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BU of 7m0b by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with bound mismatched DSB and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
7M07
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BU of 7m07 by Molmil
Pre-catalytic ternary complex of DNA Polymerase Lambda with bound 1-nt gapped SSB substrate and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022

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