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6U8F
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BU of 6u8f by Molmil
RNA hairpin, bound with TNA monomer
分子名称: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*AP*UP*GP*AP*AP*AP*GP*U)-3'), RNA (5'-R(P*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3')
著者Szostak, J.W, Zhang, W.
登録日2019-09-04
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
8SX5
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BU of 8sx5 by Molmil
GpppA dinucleotide binding to RNA CU template
分子名称: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
著者Zhang, W, Dantsu, Y.
登録日2023-05-19
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SXL
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BU of 8sxl by Molmil
RNA UU template binding to AMP monomer
分子名称: ADENOSINE MONOPHOSPHATE, RNA (5'-R(*(TLN)P*(TLN)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3')
著者Zhang, W, Dantsu, Y.
登録日2023-05-22
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SWG
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BU of 8swg by Molmil
RNA duplex bound with GpppA dinucleotide ligand
分子名称: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
著者Zhang, W, Dantsu, Y.
登録日2023-05-18
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SY1
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BU of 8sy1 by Molmil
RNA duplex bound with imidazolium bridged GA dinucleotide
分子名称: RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GMA))-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid
著者Zhang, W, Dantsu, Y.
登録日2023-05-24
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SWO
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BU of 8swo by Molmil
GpppA dinucleotide ligand binding to RNA UC template
分子名称: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
著者Zhang, W, Dantsu, Y.
登録日2023-05-19
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SX6
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BU of 8sx6 by Molmil
RNA duplex bound with GMP and AMP monomers
分子名称: ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Dantsu, Y.
登録日2023-05-19
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
6L12
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BU of 6l12 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L16
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BU of 6l16 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L11
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BU of 6l11 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-09-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
2L83
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BU of 2l83 by Molmil
A protein from Haloferax volcanii
分子名称: Small archaeal modifier protein 1
著者Zhang, W, Liao, S, Fan, K, Tu, X.
登録日2011-01-03
公開日2012-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii.
Protein Sci., 22, 2013
6L14
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BU of 6l14 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L13
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BU of 6l13 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
分子名称: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
著者Zhang, W, Zhang, L, Benner, S, Huang, Z.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
8F27
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BU of 8f27 by Molmil
Mirror-image DNA containing 2'-OMe-L-uridine residue
分子名称: Mirror-image DNA (5'-D(*(0DG)P*(0MU)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DA)P*(0DC))-3'), SULFATE ION
著者Zhang, W, Dantsu, Y.
登録日2022-11-07
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
4I41
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BU of 4i41 by Molmil
Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone
分子名称: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1
著者Zhang, W, Wan, X, Xie, Y, Huang, N.
登録日2012-11-27
公開日2013-12-11
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.
J. Med. Chem., 56, 2013
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
6U7Y
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BU of 6u7y by Molmil
RNA hairpin structure containing one TNA nucleotide as template
分子名称: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*(TG)P*CP*CP*GP*AP*AP*AP*GP*G)-3')
著者Szostak, J.W, Zhang, W.
登録日2019-09-03
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
1U7S
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BU of 1u7s by Molmil
Crystal structure of Native Sperm Whale myoglobin from low ionic strength enviroment (Form 1)
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, W, Phillips Jr, G.N.
登録日2004-08-04
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environments.
Proteins, 70, 2008
6UR4
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BU of 6ur4 by Molmil
DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template and 3'-amino primer
分子名称: DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*(C42))-3'), DNA (5'-D(P*CP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I
著者Zhang, W, Lelyveld, V.S, Szostak, J.W.
登録日2019-10-22
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UR9
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BU of 6ur9 by Molmil
DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template, dideoxy primer, 3'-amino-ddGTP (nGTP), and Ca2+
分子名称: 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate), CALCIUM ION, DNA (5'-D(*CP*AP*CP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3'), ...
著者Zhang, W, Lelyveld, V.S, Szostak, J.W.
登録日2019-10-22
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6US5
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BU of 6us5 by Molmil
DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template, 3'-amino primer, dGpNHpp analog, and Mn2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*AP*CP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*(C42))-3'), ...
著者Zhang, W, Lelyveld, V.S, Szostak, J.W.
登録日2019-10-24
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
1U7R
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BU of 1u7r by Molmil
Crystal structure of Native Sperm Whale myoglobin from low ionic strength enviroment (Form2 )
分子名称: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, W, Phillips Jr, G.N.
登録日2004-08-04
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environments.
Proteins, 70, 2008
6UR2
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BU of 6ur2 by Molmil
DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template and primer containing an N3'-> P5' linkage
分子名称: DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*(C42)P*G)-3'), DNA (5'-D(P*AP*CP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I
著者Zhang, W, Lelyveld, V.S, Szostak, J.W.
登録日2019-10-21
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020

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