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2Y1M
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BU of 2y1m by Molmil
Structure of native c-Cbl
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, ZINC ION
Authors:Dou, H, Sibbet, G.J, Huang, D.T.
Deposit date:2010-12-08
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
2Y1N
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BU of 2y1n by Molmil
Structure of c-Cbl-ZAP-70 peptide complex
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, TYROSINE-PROTEIN KINASE ZAP-70 ZAP-70,70 KDA ZETA-ASSOCIATED PROTEIN, ...
Authors:Dou, H, Sibbet, G.J, Huang, D.T.
Deposit date:2010-12-08
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.999 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL-B, ...
Authors:Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
Deposit date:2013-02-14
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-08
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.789 Å)
Cite: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
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-08
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.704 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase CBL, POTASSIUM ION, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-07
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Structural basis for autoinhibition and phosphorylation-dependent activation of c-Cbl.
Nat. Struct. Mol. Biol., 19, 2012
4AUQ
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BU of 4auq by Molmil
Structure of BIRC7-UbcH5b-Ub complex.
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ...
Authors:Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
Deposit date:2012-05-21
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.176 Å)
Cite:Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer.
Nat.Struct.Mol.Biol., 19, 2012
4V3L
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BU of 4v3l by Molmil
RNF38-UB-UbcH5B-Ub complex
Descriptor: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ...
Authors:Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
Deposit date:2014-10-20
Release date:2015-04-08
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ...
Authors:Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
Deposit date:2014-10-20
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase CBL, ZINC ION
Authors:Huang, D.T, Buetow, L, Dou, H.
Deposit date:2016-03-31
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.822 Å)
Cite:Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation.
Bmc Biol., 14, 2016
1FB9
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BU of 1fb9 by Molmil
EFFECTS OF S-SULFONATION ON THE SOLUTION STRUCTURE OF SALMON CALCITONIN
Descriptor: CALCITONIN ANALOGUE
Authors:Wu, H, Mao, J, Wang, Y, Dou, H.
Deposit date:2000-07-14
Release date:2003-07-01
Last modified:2018-06-27
Method:SOLUTION NMR
Cite:Solution structure and biological activity of recombinant salmon calcitonin S-sulfonated analog
Biochem.Biophys.Res.Commun., 306, 2003
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)
Descriptor: Carboxysome assembly protein CsoS2B, Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-09
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (1.86 Å)
Cite: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)
Descriptor: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-08
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
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)
Descriptor: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-08
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
Descriptor: 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, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-13
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
6UD2
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BU of 6ud2 by Molmil
co-crystal structure of compound 1 bound to human Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-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-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-18
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDI
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BU of 6udi by Molmil
X-ray co-crystal structure of compound 20 with Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-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-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDY
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BU of 6udy by Molmil
X-ray co-crystal structure of compound 5 with Mcl-1
Descriptor: (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDX
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BU of 6udx by Molmil
X-ray co-crystal structure of compound 7 with Mcl-1
Descriptor: (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
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019

 

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