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6RH6
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BU of 6rh6 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163
Descriptor: AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1
Authors:Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T.
Deposit date:2019-04-18
Release date:2019-09-04
Method:SOLUTION NMR
Cite:Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
6RH5
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BU of 6rh5 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain
Descriptor: Adaptin ear-binding coat-associated protein 1
Authors:Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T.
Deposit date:2019-04-18
Release date:2019-09-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
2NXB
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BU of 2nxb by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, SODIUM ION
Authors:Filippakopoulos, P, Bullock, A, Cooper, C, Keates, K, Berridge, G, Pike, A, Bunkoczi, G, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2006-11-17
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2GT3
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BU of 2gt3 by Molmil
Solution structure and dynamics of the reduced form of Methionine Sulfoxide Reductase A from Escherichia coli, a 23 kDa protein
Descriptor: Methionine Sulfoxide Reductase A
Authors:Coudevylle, N, Cung, M.T.
Deposit date:2006-04-27
Release date:2007-02-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure and Backbone Dynamics of the Reduced Form and an Oxidized Form of E. coli Methionine Sulfoxide Reductase A (MsrA): Structural Insight of the MsrA Catalytic Cycle.
J.Mol.Biol., 366, 2007
3TLP
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BU of 3tlp by Molmil
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: NICKEL (II) ION, Protein polybromo-1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Krojer, T, Allerston, C.K, Latwiel, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2OSS
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BU of 2oss by Molmil
Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 (BRD4)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-02-06
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2OO1
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BU of 2oo1 by Molmil
Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3)
Descriptor: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Bromodomain-containing protein 3, ...
Authors:Filippakopoulos, P, Bullock, A, Papagrigoriou, E, Keates, T, Cooper, C, Smee, C, Ugochukwu, E, Debreczeni, J, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-01-25
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2OUO
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BU of 2ouo by Molmil
Crystal Structure of the Bromo domain 2 in human Bromodomain Containing Protein 4 (BRD4)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2RFJ
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BU of 2rfj by Molmil
Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific (BRDT)
Descriptor: Bromodomain testis-specific protein
Authors:Filippakopoulos, P, Salah, E, Savitsky, P, Keates, T, Parizotto, E, Elkins, J, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-19
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YOJ
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BU of 6yoj by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
Descriptor: 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one, Focal adhesion kinase 1
Authors:Musil, D, Heinrich, T.
Deposit date:2020-04-14
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
5DLX
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BU of 5dlx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide
Descriptor: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-09-07
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
Descriptor: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-09-07
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
6YT6
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BU of 6yt6 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Authors:Musil, D, Heinrich, T.
Deposit date:2020-04-23
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVY
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BU of 6yvy by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
Descriptor: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVS
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BU of 6yvs by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
Descriptor: 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YXV
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BU of 6yxv by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-05-04
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
2PA5
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BU of 2pa5 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ...
Authors:Ugochukwu, E, Barr, A, Pike, A.C.W, Savitsky, P, Papagrigoriou, E, Turnbull, A, Uppenberg, J, Bunkoczi, G, Salah, E, Das, S, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-03-27
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
7A4Q
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BU of 7a4q by Molmil
The Crystal structure of RO4613269 bound to CK2alpha
Descriptor: 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-08-20
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
3UV2
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BU of 3uv2 by Molmil
Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVW
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BU of 3uvw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K5acK8ac)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-30
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UW9
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BU of 3uw9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K8acK12ac)
Descriptor: Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac)
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-12-01
Release date:2012-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UV5
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BU of 3uv5 by Molmil
Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVY
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BU of 3uvy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K16acK20ac)
Descriptor: Bromodomain-containing protein 4, Histone H4
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-30
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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