Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7B0T
DownloadVisualize
BU of 7b0t by Molmil
Crystal structure of MLLT1 YEATS domain T3 mutant in complex with benzimidazole-amide based compound 1
Descriptor: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Ni, X, Chaikuad, A, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-21
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
Acs Chem.Biol., 16, 2021
6ZLN
DownloadVisualize
BU of 6zln by Molmil
CLK1 bound with GW807982X (Cpd 8)
Descriptor: 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-30
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
7BF5
DownloadVisualize
BU of 7bf5 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP)
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, NSP3 macrodomain, ...
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4CKR
DownloadVisualize
BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
Descriptor: 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-01-07
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
8P7J
DownloadVisualize
BU of 8p7j by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL96
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
Authors:Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-30
Release date:2023-07-05
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the Protein Kinases' Cysteinome by Covalent Fragments.
Angew.Chem.Int.Ed.Engl., 64, 2025
6ATE
DownloadVisualize
BU of 6ate by Molmil
SRC kinase bound to covalent inhibitor
Descriptor: N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Gurbani, D, Westover, K.D.
Deposit date:2017-08-28
Release date:2019-02-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
9F32
DownloadVisualize
BU of 9f32 by Molmil
Crystal structure of ULK1 with a covalent compound GCL 99
Descriptor: N-[4-(1H-indazol-5-yl)phenyl]propanamide, Serine/threonine-protein kinase ULK1
Authors:Wang, G.Q, Seidler, N, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-04-24
Release date:2025-01-08
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the Protein Kinases' Cysteinome by Covalent Fragments.
Angew.Chem.Int.Ed.Engl., 64, 2025
9F81
DownloadVisualize
BU of 9f81 by Molmil
Crystal structure of RIOK2 with a covalent compound GCL 47
Descriptor: N-(4-quinazolin-4-ylphenyl)propanamide, Serine/threonine-protein kinase RIO2
Authors:Wang, G.Q, Wydra, V, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-05-06
Release date:2025-01-08
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Probing the Protein Kinases' Cysteinome by Covalent Fragments.
Angew.Chem.Int.Ed.Engl., 64, 2025
7LQD
DownloadVisualize
BU of 7lqd by Molmil
Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ...
Authors:Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2021-02-13
Release date:2022-02-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
J.Med.Chem., 65, 2022
2Q3E
DownloadVisualize
BU of 2q3e by Molmil
Structure of human UDP-glucose dehydrogenase complexed with NADH and UDP-glucose
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, UDP-glucose 6-dehydrogenase, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Smee, C, Berridge, G, von Delft, F, Wiegelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2QG4
DownloadVisualize
BU of 2qg4 by Molmil
Crystal structure of human UDP-glucose dehydrogenase product complex with UDP-glucuronate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Niesen, F, Smee, C, Berridge, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
3SOG
DownloadVisualize
BU of 3sog by Molmil
Crystal structure of the BAR domain of human Amphiphysin, isoform 1
Descriptor: 1,2-ETHANEDIOL, Amphiphysin, POTASSIUM ION
Authors:Allerston, C.K, Krojer, T, Chaikuad, A, Cooper, C.D.O, Berridge, G, Savitsky, P, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:

5TB6
DownloadVisualize
BU of 5tb6 by Molmil
Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment
Descriptor: 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2016-09-11
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016
4UIJ
DownloadVisualize
BU of 4uij by Molmil
Crystal structure of the BTB domain of KCTD13
Descriptor: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION
Authors:Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-03-30
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
4UN0
DownloadVisualize
BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-05-22
Release date:2014-06-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
5TPX
DownloadVisualize
BU of 5tpx by Molmil
Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
8PM3
DownloadVisualize
BU of 8pm3 by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL94
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
Authors:Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-28
Release date:2023-09-20
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Protein Kinases' Cysteinome by Covalent Fragments.
Angew.Chem.Int.Ed.Engl., 64, 2025
9FLT
DownloadVisualize
BU of 9flt by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920
Descriptor: NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
9FLO
DownloadVisualize
BU of 9flo by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU2181
Descriptor: NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
9FLR
DownloadVisualize
BU of 9flr by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU1963
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine, NICKEL (II) ION, ...
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GNB
DownloadVisualize
BU of 9gnb by Molmil
Structure of p73 SAM domain in complex with DARPin B9
Descriptor: Darpin B9, SULFATE ION, Tumor protein p73
Authors:Muenick, P, Strubel, A, Gebel, J, Schroeder, M, Knapp, S.
Deposit date:2024-09-01
Release date:2024-12-18
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DARPins as a novel tool to detect and degrade p73.
Cell Death Dis, 15, 2024
5APA
DownloadVisualize
BU of 5apa by Molmil
Crystal structure of human aspartate beta-hydroxylase isoform a
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ...
Authors:Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2015-09-15
Release date:2015-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5LUU
DownloadVisualize
BU of 5luu by Molmil
Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment
Descriptor: 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2016-09-11
Release date:2016-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016
5AHR
DownloadVisualize
BU of 5ahr by Molmil
Crystal structure of human DNA cross-link repair 1A, crystal form B
Descriptor: 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION
Authors:Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2015-02-06
Release date:2015-02-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities.
Nucleic Acids Res., 43, 2015
5MXX
DownloadVisualize
BU of 5mxx by Molmil
Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ...
Authors:Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-01-25
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017

238582

PDB entries from 2025-07-09

PDB statisticsPDBj update infoContact PDBjnumon