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4AUQ
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BU of 4auq by Molmil
Structure of BIRC7-UbcH5b-Ub complex.
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ...
著者Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
登録日2012-05-21
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.176 Å)
主引用文献Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer.
Nat.Struct.Mol.Biol., 19, 2012
2Y1N
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BU of 2y1n by Molmil
Structure of c-Cbl-ZAP-70 peptide complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, TYROSINE-PROTEIN KINASE ZAP-70 ZAP-70,70 KDA ZETA-ASSOCIATED PROTEIN, ...
著者Dou, H, Sibbet, G.J, Huang, D.T.
登録日2010-12-08
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
2Y1M
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BU of 2y1m by Molmil
Structure of native c-Cbl
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, ZINC ION
著者Dou, H, Sibbet, G.J, Huang, D.T.
登録日2010-12-08
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
3ZNI
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BU of 3zni by Molmil
Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL-B, ...
著者Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
登録日2013-02-14
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Essentiality of a Non-Ring Element in Priming Donor Ubiquitin for Catalysis by a Monomeric E3.
Nat.Struct.Mol.Biol., 20, 2013
4A4B
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BU of 4a4b by Molmil
Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4A4C
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BU of 4a4c by Molmil
Structure of phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4A49
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BU of 4a49 by Molmil
Structure of phosphoTyr371-c-Cbl-UbcH5B complex
分子名称: E3 ubiquitin-protein ligase CBL, POTASSIUM ION, Ubiquitin-conjugating enzyme E2 D2, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-07
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Structural basis for autoinhibition and phosphorylation-dependent activation of c-Cbl.
Nat. Struct. Mol. Biol., 19, 2012
1FB9
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BU of 1fb9 by Molmil
EFFECTS OF S-SULFONATION ON THE SOLUTION STRUCTURE OF SALMON CALCITONIN
分子名称: CALCITONIN ANALOGUE
著者Wu, H, Mao, J, Wang, Y, Dou, H.
登録日2000-07-14
公開日2003-07-01
最終更新日2018-06-27
実験手法SOLUTION NMR
主引用文献Solution structure and biological activity of recombinant salmon calcitonin S-sulfonated analog
Biochem.Biophys.Res.Commun., 306, 2003
4V3L
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BU of 4v3l by Molmil
RNF38-UB-UbcH5B-Ub complex
分子名称: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ...
著者Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
登録日2014-10-20
公開日2015-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
4V3K
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BU of 4v3k by Molmil
RNF38-UbcH5B-UB complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ...
著者Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
登録日2014-10-20
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
5J3X
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BU of 5j3x by Molmil
Structure of c-CBL Y371F
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, ZINC ION
著者Huang, D.T, Buetow, L, Dou, H.
登録日2016-03-31
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation.
Bmc Biol., 14, 2016
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
8B11
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BU of 8b11 by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 4)
分子名称: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
著者Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
登録日2022-09-08
公開日2023-08-23
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
8B0Y
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BU of 8b0y by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A co-expression (T = 3)
分子名称: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
著者Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
登録日2022-09-08
公開日2023-08-23
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
8B12
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BU of 8b12 by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 9)
分子名称: Carboxysome assembly protein CsoS2B, Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
著者Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
登録日2022-09-09
公開日2023-08-23
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (1.86 Å)
主引用文献Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
6UDX
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BU of 6udx by Molmil
X-ray co-crystal structure of compound 7 with Mcl-1
分子名称: (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-09-19
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDT
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BU of 6udt by Molmil
X-ray co-crystal structure of compound 10 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDU
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BU of 6udu by Molmil
X-ray co-crystal structure of compound 8 bound to human Mcl-1
分子名称: (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDV
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BU of 6udv by Molmil
X-ray co-crystal structure of compound 3 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-13
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021

 

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