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4CKR
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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
2VPJ
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BU of 2vpj by Molmil
Crystal structure of the Kelch domain of human KLHL12
Descriptor: ACETATE ION, KELCH-LIKE PROTEIN 12
Authors:Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2008-02-29
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
3GVU
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BU of 3gvu by Molmil
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
4BNC
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BU of 4bnc by Molmil
Crystal structure of the DNA-binding domain of human ETV1 complexed with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP)-3', HUMAN ETV1
Authors:Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Vollmar, M, Froese, D.S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
3HME
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BU of 3hme by Molmil
Crystal structure of human bromodomain containing 9 isoform 1 (BRD9)
Descriptor: Bromodomain-containing protein 9
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Picaud, S, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2XN4
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BU of 2xn4 by Molmil
Crystal structure of the kelch domain of human KLHL2 (Mayven)
Descriptor: 1,2-ETHANEDIOL, KELCH-LIKE PROTEIN 2, SODIUM ION, ...
Authors:Canning, P, Hozjan, V, Cooper, C.D.O, Ayinampudi, V, Vollmar, M, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2010-07-30
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
3IR3
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BU of 3ir3 by Molmil
Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2)
Descriptor: 3-hydroxyacyl-thioester dehydratase 2, MALONATE ION
Authors:Ugochukwu, E, Cocking, R, Burgess-Brown, N, Pilka, E, Muniz, J, Krojer, T, Chaikuad, A, Gileadi, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-08-21
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2)
To be Published
6ZWR
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BU of 6zwr by Molmil
p38a bound with SR92
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6ZWP
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BU of 6zwp by Molmil
p38a bound with SR348
Descriptor: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
3I3J
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BU of 3i3j by Molmil
Crystal Structure of the Bromodomain of Human EP300
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histone acetyltransferase p300, ...
Authors:Filippakopoulos, P, Picaud, S, Phillips, C, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3LM0
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BU of 3lm0 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ...
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, 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:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:

4AGU
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BU of 4agu by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN
Descriptor: CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Authors:Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A.
Deposit date:2012-01-31
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
3H9F
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BU of 3h9f by Molmil
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
4AVP
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BU of 4avp by Molmil
Crystal structure of the DNA-binding domain of human ETV1.
Descriptor: 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 1
Authors:Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Filippakopoulos, P, Canning, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2012-05-28
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
4AYT
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BU of 4ayt by Molmil
STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10
Descriptor: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
Deposit date:2012-06-22
Release date:2012-07-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
2WEI
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BU of 2wei by Molmil
Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1
Descriptor: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE
Authors:Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R.
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
5HES
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BU of 5hes by Molmil
Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase MLT, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Authors:Mathea, S, Salah, E, Abdul Azeez, K.R, Tallant, C, Szklarz, M, Chaikuad, A, Shrestha, B, Sorrell, F.J, Elkins, J.M, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Acs Chem.Biol., 11, 2016
2YPT
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BU of 2ypt by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A
Descriptor: CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-11-01
Release date:2012-12-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
5FII
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BU of 5fii by Molmil
Structure of a human aspartate kinase, chorismate mutase and TyrA domain.
Descriptor: PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE
Authors:Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2015-09-25
Release date:2016-03-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Descriptor: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
5FDX
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BU of 5fdx by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Descriptor: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-10-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
4QC3
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BU of 4qc3 by Molmil
Crystal structure of human BAZ2B bromodomain in complex with a diacetylated histone 4 peptide (H4K8acK12ac)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, diacetylated histone 4 peptide (H4K8acK12ac)
Authors:Tallant, C, Jose, B, Picaud, S, Chaikuad, A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-05-09
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
4QC1
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Crystal structure of human BAZ2B bromodomain in complex with an acetylated histone 3 peptide (H3K14ac)
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, SULFATE ION, ZINC ION, ...
Authors:Tallant, C, Jose, B, Picaud, S, Chaikuad, A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-05-09
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
2WUL
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BU of 2wul by Molmil
CRYSTAL STRUCTURE OF THE HUMAN GLUTAREDOXIN 5 WITH BOUND GLUTATHIONE IN AN FES CLUSTER
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roos, A.K, Johansson, C, Guo, K, Yue, W.W, Pike, A.C.W, Cooper, C.D.O, Pilka, E.S, Kavanagh, K.L, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Glrx5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity.
Biochem.J., 433, 2011
3QNF
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BU of 3qnf by Molmil
Crystal structure of the open state of human endoplasmic reticulum aminopeptidase 1 ERAP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, ZINC ION, ...
Authors:Vollmar, M, Kochan, G, Krojer, T, Harvey, D, Chaikuad, A, Allerston, C, Muniz, J.R.C, Raynor, J, Ugochukwu, E, Berridge, G, Wordsworth, B.P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-02-08
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011

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