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2IZC
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BU of 2izc by Molmil
APOSTREPTAVIDIN PH 2.0 I222 COMPLEX
分子名称: CHLORIDE ION, SODIUM ION, STREPTAVIDIN
著者Katz, B.A.
登録日1997-08-13
公開日1998-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
2IZI
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BU of 2izi by Molmil
STREPTAVIDIN-BIOTIN PH 2.53 I4122 STRUCTURE
分子名称: BIOTIN, STREPTAVIDIN
著者Katz, B.A.
登録日1997-08-13
公開日1998-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
2IZH
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BU of 2izh by Molmil
STREPTAVIDIN-BIOTIN PH 10.44 I222 COMPLEX
分子名称: BIOTIN, STREPTAVIDIN
著者Katz, B.A.
登録日1997-08-13
公開日1998-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
9M0E
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BU of 9m0e by Molmil
Enhancing the synthesis efficiency of galacto-oligosaccharides of a beta-galactosidase from Paenibacillus barengoltzii by engineering the active and distal sites
分子名称: Beta-galactosidase
著者Yu, H.Y, Wang, Y.L, Yang, Z.S, Liu, X, Xin, F.J.
登録日2025-02-24
公開日2025-04-23
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Enhancing the synthesis efficiency of galacto-oligosaccharides of a beta-galactosidase from Paenibacillus barengoltzii by engineering the active and distal sites.
Food Chem, 483, 2025
7N5U
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BU of 7n5u by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21)
分子名称: DNA Strain II, DNA Strand I, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5W
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BU of 7n5w by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23)
分子名称: 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5V
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BU of 7n5v by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
9O63
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BU of 9o63 by Molmil
Crystal structure of PLK4 and RP1664 complex
分子名称: 5-cyclopropyl-N~2~-[2,6-difluoro-4-(methanesulfonyl)phenyl]-N~2~-methyl-6-(1-methyl-1H-imidazol-4-yl)-N~4~-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PLK4
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Maderova, Z, Zimmermann, M, Sicheri, F.
登録日2025-04-11
公開日2025-05-28
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of RP-1664: A First-in-Class Orally Bioavailable, Selective PLK4 Inhibitor.
J.Med.Chem., 68, 2025
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
8QQI
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BU of 8qqi by Molmil
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
分子名称: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Ghilarov, D, Martin, N.I, van der Stelt, M.
登録日2023-10-04
公開日2024-06-19
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-09
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0229 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2H96
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BU of 2h96 by Molmil
Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors
分子名称: 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ...
著者Abad-Zapatero, C.
登録日2006-06-09
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
4Z9P
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BU of 4z9p by Molmil
Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution
分子名称: Nucleoprotein
著者Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H.
登録日2015-04-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
5KX5
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BU of 5kx5 by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound 11 complex
分子名称: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Parris, K.
登録日2016-07-20
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads.
ACS Med Chem Lett, 7, 2016
2GMX
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BU of 2gmx by Molmil
Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity
分子名称: C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ...
著者Abad-Zapatero, C.
登録日2006-04-07
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
6LNZ
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BU of 6lnz by Molmil
NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex
分子名称: DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*GP*GP*CP*CP*TP*TP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), cyclometalated-carbene platinum(II) complex
著者Liu, W, Zhu, B.Z, Mao, Z.W.
登録日2020-01-02
公開日2021-01-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Selectivity and Targeting of G-Quadruplex Binders Activated by Adaptive Binding and Controlled by Chemical Kinetics.
Angew.Chem.Int.Ed.Engl., 60, 2021
8R06
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BU of 8r06 by Molmil
CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
分子名称: (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ...
著者Offen, W.A, Davies, G.J, Breen, I.Z.
登録日2023-10-30
公開日2023-11-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
8D6E
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BU of 8d6e by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306
分子名称: (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6D
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BU of 8d6d by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39
分子名称: (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6F
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BU of 8d6f by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41
分子名称: (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6C
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BU of 8d6c by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28
分子名称: (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
1CN4
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ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
分子名称: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
著者Stroud, R.M, Reid, S.W.
登録日1999-05-25
公開日1999-08-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
9NBB
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BU of 9nbb by Molmil
Augmin/V junction(closed)
分子名称: AUGMIN subunit 2, AUGMIN subunit 3, AUGMIN subunit 5, ...
著者Ashaduzzaman, M, Al-Bassam, J, Taheri, A.
登録日2025-02-13
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Cryo-EM structures of the Plant Augmin reveal its intertwined coiled-coil assembly, antiparallel dimerization and NEDD1 binding mechanisms.
Biorxiv, 2025

238582

件を2025-07-09に公開中

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