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8SJP
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BU of 8sjp by Molmil
[3T15] Self-assembling DNA motif with 15 base pairs between junctions and P32 symmetry
分子名称: DNA (5'-D(*CP*AP*GP*CP*TP*GP*AP*CP*CP*TP*GP*AP*CP*TP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*CP*TP*GP*TP*GP*GP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*CP*GP*AP*TP*GP*GP*AP*CP*AP*GP*GP*GP*G)-3'), ...
著者Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (5.22 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJN
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BU of 8sjn by Molmil
[3T13] Self-assembling left-handed tensegrity triangle with 13 interjunction base pairs and R3 symmetry
分子名称: DNA (5'-D(*CP*AP*GP*CP*AP*TP*CP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*TP*GP*TP*GP*GP*CP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*GP*AP*G)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (7.3 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJU
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BU of 8sju by Molmil
[4T17] Self-assembling right-handed four-turn tensegrity triangle with 17 interjunction base pairs and R3 symmetry
分子名称: DNA (25-MER), DNA (5'-D(*GP*AP*AP*AP*AP*AP*CP*AP*CP*TP*GP*CP*CP*TP*GP*AP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(P*GP*CP*GP*GP*TP*AP*TP*TP*CP*AP*CP*CP*AP*CP*GP*AP*T)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (7.14 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJS
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BU of 8sjs by Molmil
[3T18] Self-assembling right-handed tensegrity triangle with 18 interjunction base pairs and P63 symmetry
分子名称: DNA (5'-D(*CP*AP*GP*AP*GP*CP*CP*TP*GP*AP*CP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*TP*GP*GP*CP*TP*C)-3'), DNA (5'-D(P*TP*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*G)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (6.31 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJW
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BU of 8sjw by Molmil
[4T28] Self-assembling right-handed tensegrity triangle with 28 interjunction base pairs and R3 symmetry
分子名称: DNA (28-MER), DNA (5'-D(*GP*AP*AP*CP*TP*GP*CP*CP*TP*GP*AP*AP*TP*TP*AP*CP*TP*GP*AP*CP*CP*G)-3'), DNA (5'-D(*TP*CP*AP*TP*CP*AP*GP*TP*GP*GP*CP*AP*GP*T)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (7.64 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJO
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BU of 8sjo by Molmil
[3T14] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and R3 symmetry
分子名称: DNA (5'-D(P*CP*AP*CP*GP*TP*GP*GP*AP*CP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*AP*GP*CP*TP*CP*AP*GP*CP*CP*TP*GP*AP*CP*TP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*TP*CP*TP*CP*CP*AP*CP*GP*T)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (7.08 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJT
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BU of 8sjt by Molmil
[3T14+10] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and a 10 bp linker with R3 symmetry
分子名称: DNA (5'-D(*AP*CP*CP*TP*CP*CP*TP*GP*AP*GP*GP*TP*CP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*AP*CP*TP*CP*TP*GP*CP*TP*A)-3'), DNA (5'-D(*GP*TP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ...
著者Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
登録日2023-04-18
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (9.38 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SL5
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BU of 8sl5 by Molmil
[2T13] Self-assembling left-handed two-turn tensegrity triangle with 13 interjunction base pairs and R3 symmetry
分子名称: DNA (5'-D(*GP*AP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*A)-3'), ...
著者Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P.
登録日2023-04-21
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (6.55 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SZ5
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BU of 8sz5 by Molmil
[2T5] Self-assembling DNA motif with 5 base pairs between junctions and P32 symmetry
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*G)-3'), DNA (5'-D(P*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*GP*T)-3'), ...
著者Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P.
登録日2023-05-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
4CP8
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BU of 4cp8 by Molmil
Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP
分子名称: ALLOPHANATE HYDROLASE, MALONATE ION
著者Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C.
登録日2014-02-03
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex.
Appl.Environ.Microbiol., 81, 2015
5EAK
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BU of 5eak by Molmil
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
分子名称: N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide, Serine/threonine-protein kinase MARK2
著者Su, H.P.
登録日2015-10-16
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Bioorg.Med.Chem.Lett., 26, 2016
2QHN
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BU of 2qhn by Molmil
Crystal Structure of Chek1 in Complex with Inhibitor 1a
分子名称: 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S.
登録日2007-07-02
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QHM
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BU of 2qhm by Molmil
crystal structure of Chek1 in complex with inhibitor 2a
分子名称: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S.
登録日2007-07-02
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
2HXL
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BU of 2hxl by Molmil
crystal structure of Chek1 in complex with inhibitor 1
分子名称: 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE, Serine/threonine-protein kinase Chk1
著者Yan, Y.
登録日2006-08-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4OOL
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BU of 4ool by Molmil
Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid)
分子名称: (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
2HXQ
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BU of 2hxq by Molmil
crystal structure of Chek1 in complex with inhibitor 2
分子名称: 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1
著者Yan, Y.
登録日2006-08-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HY0
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BU of 2hy0 by Molmil
crystal structure of chek1 in complex with inhibitor 22
分子名称: 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1
著者Yan, Y.
登録日2006-08-04
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4OOM
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BU of 4oom by Molmil
Crystal structure of PBP3 in complex with BAL30072 ((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide)
分子名称: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2014-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
2SPZ
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BU of 2spz by Molmil
STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN A
著者Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A.
登録日1998-07-29
公開日1998-08-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution solution NMR structure of the Z domain of staphylococcal protein A.
J.Mol.Biol., 272, 1997
1QP9
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BU of 1qp9 by Molmil
STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7
分子名称: CYP1(HAP1-PC7) ACTIVATORY PROTEIN, DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), ...
著者Lukens, A, King, D, Marmorstein, R.
登録日1999-06-01
公開日2000-10-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of HAP1-PC7 bound to DNA: implications for DNA recognition and allosteric effects of DNA-binding on transcriptional activation.
Nucleic Acids Res., 28, 2000
3F9N
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BU of 3f9n by Molmil
Crystal structure of chk1 kinase in complex with inhibitor 38
分子名称: 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S, Ikuta, M.
登録日2008-11-14
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1HCV
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BU of 1hcv by Molmil
LLAMA HEAVY CHAIN VARIABLE DOMAIN AGAINST ALPHA SUBUNIT OF HCG (HUMAN CHORIONIC GONADOTROPIN)
分子名称: IMMUNOGLOBULIN G
著者Spinelli, S, Cambillau, C, Tegoni, M.
登録日1996-07-13
公開日1997-07-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of a llama heavy chain variable domain.
Nat.Struct.Biol., 3, 1996
2VCP
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BU of 2vcp by Molmil
Crystal structure of N-Wasp VC domain in complex with skeletal actin
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gaucher, J.F, Didry, D, Carlier, M.F.
登録日2007-09-26
公開日2008-11-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Interactions of isolated C-terminal fragments of neural Wiskott-Aldrich syndrome protein (N-WASP) with actin and Arp2/3 complex.
J. Biol. Chem., 287, 2012
2HOG
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BU of 2hog by Molmil
crystal structure of Chek1 in complex with inhibitor 20
分子名称: (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1
著者Yan, Y, Ikuta, M.
登録日2006-07-14
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006

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