2QEP
 
 | | Crystal structure of the D1 domain of PTPRN2 (IA2beta) | | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase N2 | | Authors: | Ugochukwu, E, Barr, A, Alfano, I, Berridge, G, Burgess-Brown, N, Das, S, Fedorov, O, King, O, Niesen, F, Watt, S, Savitsky, P, Salah, E, Pike, A.C.W, Bunkoczi, G, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-26 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2PNT
 | | Crystal structure of the PDZ domain of human GRASP (GRP1) in complex with the C-terminal peptide of the metabotropic glutamate receptor type 1 | | Descriptor: | CHLORIDE ION, General receptor for phosphoinositides 1-associated scaffold protein | | Authors: | Elkins, J, Papagrigoriou, E, Cooper, C, Gileadi, C, Uppenberg, J, Bray, J, von Delft, F, Pike, A.C.W, Ugochukwu, E, Umeano, C, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-25 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
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2ODE
 | | Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ... | | Authors: | Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-22 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2V4Z
 | | The crystal structure of the human G-protein subunit alpha (GNAI3) in complex with an engineered regulator of G-protein signaling type 2 domain (RGS2) | | Descriptor: | GUANINE NUCLEOTIDE-BINDING PROTEIN G(K) SUBUNIT ALPHA, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Roos, A.K, Soundararajan, M, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Determinants of G-Protein Alpha Subunit Selectivity by Regulator of G-Protein Signaling 2(Rgs2).
J.Biol.Chem., 284, 2009
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2V24
 | | Structure of the human SPRY domain-containing SOCS box protein SSB-4 | | Descriptor: | NICKEL (II) ION, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 4 | | Authors: | Uppenberg, J, Bullock, A, Keates, T, Savitsky, P, Pike, A.C.W, Ugochukwu, E, Bunkoczi, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-05-31 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Par-4 Recognition by the Spry Domain-and Socs Box-Containing Proteins Spsb1, Spsb2, and Spsb4.
J.Mol.Biol., 401, 2010
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2UZC
 | | Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | | Authors: | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | | Deposit date: | 2007-04-27 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
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2V1W
 | | Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ... | | Authors: | Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
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2VUW
 | | Structure of human haspin kinase domain | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Eswaran, J, Murray, J.W, Filippakopoulos, P, Soundararajan, M, Pike, A.C.W, von Delft, F, Picaud, S, Keates, T, King, O, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Fedorov, O, Burgess-Brown, N, Bray, J, Knapp, S. | | Deposit date: | 2008-05-30 | | Release date: | 2008-09-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Functional Characterization of the Atypical Human Kinase Haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7PHL
 | | Human voltage-gated potassium channel Kv3.1 (with EDTA) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Pike, A.C.W, Marsden, B, MacLean, E.M, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-08-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
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7PHH
 | | Human voltage-gated potassium channel Kv3.1 (apo condition) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | | Authors: | Chi, G, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Marsden, B, MacLean, E.M, Fernandez-Cid, A, Pike, A.C.W, Savva, C, Ragan, T.J, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-08-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
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7PHI
 | | Human voltage-gated potassium channel Kv3.1 (with Zn) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Marsden, B, MacLean, E.M, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-08-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
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7PHK
 | | Human voltage-gated potassium channel Kv3.1 in dimeric state (with Zn) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Marsden, B, MacLean, E.M, Fernandez-Cid, A, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-08-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
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6FDZ
 | | Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib | | Descriptor: | Momelotinib, Serine/threonine-protein kinase ULK3 | | Authors: | Mathea, S, Salah, E, Moroglu, M, Scorah, A, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Knapp, S. | | Deposit date: | 2017-12-27 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib
To Be Published
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6FT3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6FSY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6FT4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6Y5V
 | | Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L. | | Deposit date: | 2020-02-25 | | Release date: | 2020-07-15 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (4.08 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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3F2O
 | | Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 1 (SPSB1) in complex with a 20-residue VASA peptide | | Descriptor: | 20-mer peptide from ATP-dependent RNA helicase vasa, SPRY domain-containing SOCS box protein 1 | | Authors: | Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4.
J.Mol.Biol., 401, 2010
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3H9R
 | | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | | Descriptor: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
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3GVU
 | | The crystal structure of human ABL2 in complex with GLEEVEC | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Tyrosine-protein kinase ABL2 | | Authors: | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Filippakopoulos, P, Roos, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The crystal structure of human ABL2 in complex with GLEEVEC
To be Published
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3G2F
 | | Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | Authors: | Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-31 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension.
Sci Rep, 9, 2019
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3H9F
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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3IQ7
 | | Crystal Structure of human Haspin in complex with 5-Iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-19 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GFW
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand | | Descriptor: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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4B9D
 | | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ... | | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
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