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6GR9
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BU of 6gr9 by Molmil
Human AURKC INCENP complex bound to VX-680
Descriptor: Aurora kinase C, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Inner centromere protein, ...
Authors:Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M.
Deposit date:2018-06-10
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:AURKC INCENP complex bound to BRD-7880
To Be Published
2WU7
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BU of 2wu7 by Molmil
Crystal Structure of the Human CLK3 in complex with V25
Descriptor: CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ...
Authors:Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2C7S
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BU of 2c7s by Molmil
Crystal structure of human protein tyrosine phosphatase kappa at 1.95A resolution
Descriptor: ACETATE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA
Authors:Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Barr, A, Das, S, Burgess, N, Gileadi, O, Longman, E, von Delft, F, Knapp, S, Sundstron, M, Arrowsmith, C, Weigelt, J, Edwards, A.
Deposit date:2005-11-28
Release date:2007-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Protein Sci., 15, 2006
2BZL
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BU of 2bzl by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE N14 AT 1. 65 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ...
Authors:Debreczeni, J.E, Barr, A, Eswaran, J, Das, S, Burgess, N, Longman, E, Fedorov, O, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2005-08-18
Release date:2005-09-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Human Protein Tyrosine Phosphatase 14 (Ptpn14) at 1.65-A Resolution.
Proteins, 63, 2006
2C3I
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BU of 2c3i by Molmil
CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1
Authors:Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J.
Deposit date:2005-10-07
Release date:2005-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
2C30
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BU of 2c30 by Molmil
Crystal Structure Of The Human P21-Activated Kinase 6
Descriptor: CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6
Authors:Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S.
Deposit date:2005-10-02
Release date:2006-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
2BVA
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BU of 2bva by Molmil
Crystal structure of the human P21-activated kinase 4
Descriptor: P21-ACTIVATED KINASE 4
Authors:Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S.
Deposit date:2005-06-23
Release date:2005-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
2CG5
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BU of 2cg5 by Molmil
Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A
Descriptor: COENZYME A, FATTY ACID SYNTHASE, L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, ...
Authors:Bunkoczi, G, Joshi, A, Papagrigoriu, E, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Smith, S, Oppermann, U.
Deposit date:2006-02-27
Release date:2006-03-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and Substrate Recognition of Human Holo Acp Synthase.
Chem.Biol., 14, 2007
2CDZ
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BU of 2cdz by Molmil
CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A
Descriptor: CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ...
Authors:Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S.
Deposit date:2006-01-31
Release date:2006-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
2C2N
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BU of 2c2n by Molmil
Structure of human mitochondrial malonyltransferase
Descriptor: 1,2-DIMETHOXYETHANE, 2-(2-ETHOXYETHOXY)ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ...
Authors:Wu, X, Bunkoczi, G, Smee, C, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U.
Deposit date:2005-09-29
Release date:2006-01-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Different Specificities of Acyltransferases Associated with the Human Cytosolic and Mitochondrial Fatty Acid Synthases.
Chem.Biol., 16, 2009
2C43
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BU of 2c43 by Molmil
STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE IN COMPLEX WITH COENZYME A
Descriptor: AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, CHLORIDE ION, COENZYME A, ...
Authors:Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Oppermann, U.
Deposit date:2005-10-14
Release date:2005-10-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
2BYD
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BU of 2byd by Molmil
Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase
Descriptor: BROMIDE ION, HSPC223
Authors:Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, Oppermann, U, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J.
Deposit date:2005-07-29
Release date:2005-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
2BWJ
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BU of 2bwj by Molmil
Structure of adenylate kinase 5
Descriptor: ADENOSINE MONOPHOSPHATE, ADENYLATE KINASE 5, CHLORIDE ION, ...
Authors:Bunkoczi, G, Filippakopoulos, P, Fedorov, O, Jansson, A, Longman, E, Ugochukwu, E, Knapp, S, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J.
Deposit date:2005-07-14
Release date:2005-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Adenylate Kinase 5
To be Published
2CJZ
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BU of 2cjz by Molmil
crystal structure of the c472s mutant of human protein tyrosine phosphatase ptpn5 (step, striatum enriched phosphatase) in complex with phosphotyrosine
Descriptor: 1,2-ETHANEDIOL, HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5, O-PHOSPHOTYROSINE
Authors:Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Savitsky, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S, von Delft, F.
Deposit date:2006-04-10
Release date:2006-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
2B49
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BU of 2b49 by Molmil
Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase, non-receptor Type 3
Descriptor: protein tyrosine phosphatase, non-receptor type 3
Authors:Ugochukwu, E, Arrowsmith, C, Barr, A, Bunkoczi, G, Das, S, Debreczeni, J, Edwards, A, Eswaran, J, Knapp, S, Sundstrom, M, Turnbull, A, von Delft, F, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2005-09-23
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
2AG5
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BU of 2ag5 by Molmil
Crystal Structure of Human DHRS6
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, dehydrogenase/reductase (SDR family) member 6
Authors:Kunde, G, Lukacik, P, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-07-26
Release date:2005-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase
J.Biol.Chem., 281, 2006
2VAG
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BU of 2vag by Molmil
Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor
Descriptor: DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Authors:Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S.
Deposit date:2007-08-31
Release date:2007-10-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2VD5
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BU of 2vd5 by Molmil
Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII
Descriptor: 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN
Authors:Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S.
Deposit date:2007-09-30
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Dystrophia Myotonica Protein Kinase.
Protein Sci., 18, 2009
2FLS
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BU of 2fls by Molmil
Crystal structure of Human Glutaredoxin 2 complexed with glutathione
Descriptor: GLUTATHIONE, Glutaredoxin-2
Authors:Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-01-06
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Human Glutaredoxin 2 complexed with glutathione
To be Published
2F57
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BU of 2f57 by Molmil
Crystal Structure Of The Human P21-Activated Kinase 5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, Serine/threonine-protein kinase PAK 7
Authors:Eswaran, J, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Bray, J, Das, S, Savitsky, P, Smee, C, Burgess, N, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-11-25
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.
Structure, 15, 2007
2WU6
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BU of 2wu6 by Molmil
Crystal Structure of the Human CLK3 in complex with DKI
Descriptor: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ...
Authors:Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2VIF
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BU of 2vif by Molmil
Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide
Descriptor: 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6
Authors:Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S.
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
2VUW
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BU of 2vuw by Molmil
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
5SRW
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BU of 5srw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364914118 - (S) isomer
Descriptor: Non-structural protein 3, methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSB
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BU of 5ssb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCmk000007RhkC
Descriptor: 4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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