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8BZF
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BU of 8bzf by Molmil
FC-J acetonide stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin J-acetonide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
1R42
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BU of 1r42 by Molmil
Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ...
著者Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
登録日2003-10-07
公開日2004-02-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
6ZK6
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BU of 6zk6 by Molmil
Protein Phosphatase 1 (PP1) T320E mutant
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2020-06-29
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
8BZE
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BU of 8bze by Molmil
FC-J stabilizer for ERa and 14-3-3
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZD
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BU of 8bzd by Molmil
deAc-FC stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZT
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BU of 8bzt by Molmil
FC-NAg stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZG
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BU of 8bzg by Molmil
FC-31 stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8C0L
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BU of 8c0l by Molmil
FC-THF stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF
著者Visser, E.J, Ottmann, C.
登録日2022-12-17
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
6OWN
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BU of 6own by Molmil
Crystal structure of Msm DnaB1 intein splicing domain bound with zinc
分子名称: Replicative DNA helicase, ZINC ION
著者Bacot-Davis, V.R, Belfort, M, Lennon, C.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conditional DnaB Protein Splicing Is Reversibly Inhibited by Zinc in Mycobacteria.
Mbio, 11, 2020
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2020-06-20
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
7XW8
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BU of 7xw8 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct
分子名称: GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ...
著者Oki, H.
登録日2022-05-26
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Eur.J.Med.Chem., 239, 2022
5M6A
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BU of 5m6a by Molmil
Crystal structure of cardiotoxic Bence-Jones light chain dimer H9
分子名称: Bence-Jones light chain, GLYCEROL, PHOSPHATE ION
著者Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S.
登録日2016-10-24
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
分子名称: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2019-10-18
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020
6VII
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BU of 6vii by Molmil
Crystal structure of mouse RABL3 in complex with GTPgammaS
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
著者Su, L, Tomchick, D.R, Beutler, B.
登録日2020-01-13
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MTL
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BU of 5mtl by Molmil
Crystal structure of an amyloidogenic light chain
分子名称: light chain dimer,IGL@ protein,IGL@ protein
著者Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S.
登録日2017-01-10
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
6VIK
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BU of 6vik by Molmil
Crystal structure of mouse xm RABL3 in complex with GTPgammsS
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
著者Su, L, Tomchick, D.R, Beutler, B.
登録日2020-01-13
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MVG
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BU of 5mvg by Molmil
Crystal structure of non-amyloidogenic light chain dimer M7
分子名称: GLYCEROL, light chain dimer
著者Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S.
登録日2017-01-16
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
6VIH
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BU of 6vih by Molmil
The ligand-free structure of mouse RABL3
分子名称: Rab-like protein 3
著者Su, L, Tomchick, D.R, Beutler, B.
登録日2020-01-13
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q7P
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BU of 6q7p by Molmil
Crystal structure of OE1.2
分子名称: 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ...
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6VIJ
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BU of 6vij by Molmil
Crystal structure of mouse RABL3 in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
著者Su, L, Tomchick, D.R, Beutler, B.
登録日2020-01-13
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q7R
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BU of 6q7r by Molmil
Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
分子名称: 1-PHENYLETHANONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6Q3X
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BU of 6q3x by Molmil
Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
著者Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-12-04
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6Q7O
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BU of 6q7o by Molmil
Crystal structure of OE1
分子名称: CALCIUM ION, OE1
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6Q7N
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BU of 6q7n by Molmil
Crystal structure of BH32 alkylated with the mechanistic inhibitor 2-bromoacetophenone
分子名称: 1-PHENYLETHANONE, BH32
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019

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