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6R7T
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BU of 6r7t by Molmil
Crystal Structure of human Melanoma-associated antigen B1 (MAGEB1) in complex with nanobody
分子名称: Melanoma-associated antigen B1, anti MAGEB1 nanobody
著者Ye, M, Newman, J, Pike, A.C.W, Burgess-Brown, N, Cooper, C.D.O, Bountra, C, Arrowsmith, C, Edwards, A, Gileadi, O, von Delft, F.
登録日2019-03-29
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.682 Å)
主引用文献Crystal Structure of Melanoma-associated antigen B1 (MAGEB1) in complex with nanobody
To Be Published
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2011-07-29
公開日2011-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Trnase Z, Short Form (Elac1).
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
分子名称: 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ...
著者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)
登録日2010-08-31
公開日2010-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
To be Published
3OP5
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BU of 3op5 by Molmil
Human vaccinia-related kinase 1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ...
著者Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-08-31
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
3S95
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BU of 3s95 by Molmil
Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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)
登録日2011-05-31
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
8PDG
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BU of 8pdg by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z2738285202
分子名称: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide
著者Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDH
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BU of 8pdh by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
分子名称: (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
分子名称: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
2C2H
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BU of 2c2h by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
登録日2005-09-29
公開日2005-10-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Human Rac3 in Complex with Gdp
To be Published
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
分子名称: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-07-26
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
2G0N
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BU of 2g0n by Molmil
The Crystal Structure of the Human RAC3 in complex with GDP and Chloride
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-02-13
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of the Human RAC3 in complex with GDP and Chloride
To be Published
8CDN
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BU of 8cdn by Molmil
Crystal structure of human Brachyury in complex with a single T box binding element DNA
分子名称: DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T
著者Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C.
登録日2023-01-31
公開日2023-03-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of human Brachyury in complex with a single T box binding element DNA
To Be Published
8C8B
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BU of 8c8b by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48).
分子名称: 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8C8D
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BU of 8c8d by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
分子名称: (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
To Be Published
8C8S
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BU of 8c8s by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
分子名称: (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-20
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
分子名称: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
8CEW
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BU of 8cew by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
分子名称: 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
分子名称: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
分子名称: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
著者Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-03-04
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
5LBA
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BU of 5lba by Molmil
Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
分子名称: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
著者Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
5LB3
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Crystal structure of human RECQL5 helicase in complex with ADP/Mg.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ...
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB8
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Crystal structure of human RECQL5 helicase APO form.
分子名称: ATP-dependent DNA helicase Q5, ZINC ION
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB5
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BU of 5lb5 by Molmil
Crystal structure of human RECQL5 helicase in complex with ADP/Mg (tricilinc form).
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, DIMETHYL SULFOXIDE, ...
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
6RRK
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BU of 6rrk by Molmil
Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-20
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
6RRC
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BU of 6rrc by Molmil
Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog, SULFATE ION
著者Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-17
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020

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