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4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4FR4
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BU of 4fr4 by Molmil
Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
Descriptor: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
Authors:Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
3S95
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BU of 3s95 by Molmil
Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
3SOC
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BU of 3soc by Molmil
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin
Descriptor: 1,2-ETHANEDIOL, Activin receptor type-2A, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Authors:Chaikuad, A, Williams, E, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Muniz, J.R.C, Yue, W.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin
To be Published
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
4J5L
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BU of 4j5l by Molmil
Structure of the Cargo Binding Domain from Human Myosin Va
Descriptor: SULFATE ION, Unconventional myosin-Va
Authors:Nascimento, A.F.Z, Trindade, D.M, Tonoli, C.C.C, Assis, L.H.P, Mahajan, P, Berridge, G, Krojer, T, Vollmar, M, Burgess-Brown, N, von Delft, F, Murakami, M.T.
Deposit date:2013-02-08
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
4J5M
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BU of 4j5m by Molmil
Structure of the Cargo Binding Domain from Human Myosin Vb
Descriptor: NITRATE ION, Unconventional myosin-Vb
Authors:Nascimento, A.F.Z, Trindade, D.M, Mahajan, P, Berridge, G, Krojer, T, Vollmar, M, Tonoli, C.C.C, Assis, L.H.P, Burgess-Brown, N, von Delft, F, Murakami, M.T.
Deposit date:2013-02-08
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
4L8T
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BU of 4l8t by Molmil
Structure of the Cargo Binding Domain from Human Myosin Vc
Descriptor: Unconventional myosin-Vc
Authors:Nascimento, A.F.Z, Tonoli, C.C.C, Trindade, D.M, Assis, L.H.P, Mahajan, P, Berridge, G, Krojer, T, Burgess-Brown, N, von Delft, F, Murakami, M.T.
Deposit date:2013-06-17
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
3I3N
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BU of 3i3n by Molmil
Crystal structure of the BTB-BACK domains of human KLHL11
Descriptor: CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION
Authors:Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
3HMI
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BU of 3hmi by Molmil
The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2
Authors:Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
5K47
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BU of 5k47 by Molmil
CryoEM structure of the human Polycystin-2/PKD2 TRP channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
Authors:Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-05-20
Release date:2016-08-24
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
5CLW
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BU of 5clw by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan-branching enzyme, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
3MDY
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BU of 3mdy by Molmil
Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
Descriptor: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
3OOM
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BU of 3oom by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
Descriptor: 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
To be Published
2XIK
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BU of 2xik by Molmil
Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1)
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25
Authors:Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
2X4F
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BU of 2x4f by Molmil
The Crystal Structure of the human myosin light chain kinase LOC340156.
Descriptor: 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ...
Authors:Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S.
Deposit date:2010-01-29
Release date:2010-02-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
2X7F
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BU of 2x7f by Molmil
Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor
Descriptor: 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE
Authors:Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
3ZOS
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BU of 3zos by Molmil
Structure of the DDR1 kinase domain in complex with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-02-22
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
4ASX
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BU of 4asx by Molmil
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C
Descriptor: 1,2-ETHANEDIOL, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, ACTIVIN RECEPTOR TYPE-2A
Authors:Williams, E, Chaikuad, A, Canning, P, Kochan, G, Mahajan, P, Cooper, C.D.O, Beltrami, A, Krojer, T, Pohl, B, Bracher, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.
Deposit date:2012-05-03
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor
To be Published
4BKJ
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BU of 4bkj by Molmil
Crystal structure of the human DDR1 kinase domain in complex with imatinib
Descriptor: 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
4B87
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BU of 4b87 by Molmil
Crystal structure of human DNA cross-link repair 1A
Descriptor: 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION
Authors:Allerston, C.K, Berridge, G, Carpenter, E.P, Kochan, G, Krojer, T, Mahajan, P, Vollmar, M, Yue, W.W, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2012-08-24
Release date:2012-11-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of Human DNA Cross-Link Repair 1A
To be Published
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
Descriptor: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
Authors:Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2018-10-30
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
5OY6
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BU of 5oy6 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36.
Descriptor: 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36
Authors:Williams, E.P, Pinkas, D.M, Krojer, T, Kupinska, K, Mahajan, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2017-09-07
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva
To Be Published
3H9R
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BU of 3h9r by Molmil
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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