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6WJD
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BU of 6wjd by Molmil
SA-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Chen, X, Walters, K.J.
登録日2020-04-13
公開日2020-08-05
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
7PAD
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BU of 7pad by Molmil
The crystal structure of DW-0254 in complex with PDE6D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ...
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAE
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BU of 7pae by Molmil
The crystal structure of Deltarasin in complex with PDE6D
分子名称: ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAC
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BU of 7pac by Molmil
The crystal structure of PDE6D in the apo state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
6UGK
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BU of 6ugk by Molmil
CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1
分子名称: CHLORIDE ION, SODIUM ION, Threonine aspartase 1,Threonine aspartase 1
著者Edwards, T.E, Delker, S.L.
登録日2019-09-26
公開日2021-03-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
6VIN
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BU of 6vin by Molmil
Crystallographic structure of the circularly permuted human Taspase1 protein
分子名称: Threonine aspartase 1
著者Martin-Garcia, J.M, Fromme, P.
登録日2020-01-13
公開日2021-01-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
8DPM
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BU of 8dpm by Molmil
Structure of EBOV GP lacking the mucin-like domain with 9.20.1A2 Fab and 6D6 scFv bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 6D6 scFv, Antibody 9.20.1A2 Fab heavy chain, ...
著者Yu, X, Saphire, E.O.
登録日2022-07-15
公開日2023-07-19
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The evolution and determinants of neutralization of potent head-binding antibodies against Ebola virus.
Cell Rep, 42, 2023
8DPL
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BU of 8dpl by Molmil
Structure of EBOV GP lacking the mucin-like domain with 2.1.1D5 scFv and 6D6 scFv bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2.1.1D5 heavy chain variable domain, 2.1.1D5 light chain variable domain, ...
著者Yu, X, Saphire, E.O.
登録日2022-07-15
公開日2023-07-19
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献The evolution and determinants of neutralization of potent head-binding antibodies against Ebola virus.
Cell Rep, 42, 2023
3NZ0
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BU of 3nz0 by Molmil
Non-phosphorylated TYK2 kinase with CMP6
分子名称: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2
著者Eigenbrot, C, Ultsch, M.
登録日2010-07-15
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new regulatory switch in a JAK protein kinase.
Proteins, 79, 2011
3NYX
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BU of 3nyx by Molmil
Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Eigenbrot, C, Ultsch, M.
登録日2010-07-15
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new regulatory switch in a JAK protein kinase.
Proteins, 79, 2011
1EVC
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BU of 1evc by Molmil
NMR structure of CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR
分子名称: MOTUPORIN
著者Bagu, J.R, Sykes, B.D.
登録日1996-02-14
公開日1996-11-08
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of the solution structures of microcystin-LR and motuporin.
Nat.Struct.Biol., 2, 1995
1EVB
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BU of 1evb by Molmil
NMR structure of cyanobacterial toxin, phosphatase-1/-2A inhibitor
分子名称: MICROCYSTIN-LR
著者Bagu, J.R, Sykes, B.D.
登録日1996-02-14
公開日1996-11-08
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of the solution structures of microcystin-LR and motuporin.
Nat.Struct.Biol., 2, 1995
1EVA
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BU of 1eva by Molmil
NMR structure of cyanobacterial toxin, phosphatase-1/-2A inhibitor
分子名称: MICROCYSTIN-LR
著者Bagu, J.R, Sykes, B.D.
登録日1996-02-14
公開日1996-11-08
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of the solution structures of microcystin-LR and motuporin.
Nat.Struct.Biol., 2, 1995
1EVD
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BU of 1evd by Molmil
NMR structure of CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR
分子名称: MOTUPORIN
著者Bagu, J.R, Sykes, B.D.
登録日1996-02-14
公開日1996-11-08
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of the solution structures of microcystin-LR and motuporin.
Nat.Struct.Biol., 2, 1995
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
分子名称: CATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
分子名称: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
7M69
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BU of 7m69 by Molmil
E1435Q Ycf1 mutant in inward-facing wide conformation
分子名称: Metal resistance protein YCF1
著者Khandelwal, N.K, Millan, C.R, Thaker, T.M, Tomasiak, T.M.
登録日2021-03-25
公開日2022-04-06
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation.
Nat Commun, 13, 2022
7M68
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BU of 7m68 by Molmil
E1435Q Ycf1 mutant in inward-facing narrow conformation
分子名称: Metal resistance protein YCF1
著者Khandelwal, N.K, Millan, C.R, Thaker, T.M, Tomasiak, T.M.
登録日2021-03-25
公開日2022-04-06
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation.
Nat Commun, 13, 2022
2YM7
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BU of 2ym7 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
1LCM
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BU of 1lcm by Molmil
NMR minimized average structure of microcystin-LR
分子名称: microcystin LR
著者Trogen, G, Zdunek, J.
登録日1995-12-30
公開日1996-12-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Conformational studies of microcystin-LR using NMR spectroscopy and molecular dynamics calculations.
Biochemistry, 35, 1996
1DKT
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BU of 1dkt by Molmil
CKSHS1: HUMAN CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1 COMPLEX WITH METAVANADATE
分子名称: CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1, META VANADATE
著者Bourne, Y, Arvai, A.S, Tainer, J.A.
登録日1995-11-22
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
J.Mol.Biol., 249, 1995
1DKS
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BU of 1dks by Molmil
CKSHS1: HUMAN CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1 IN COMPLEX WITH PHOSPHATE
分子名称: CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1, PHOSPHATE ION
著者Bourne, Y, Arvai, A.S, Tainer, J.A.
登録日1995-11-22
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
J.Mol.Biol., 249, 1995
2XEZ
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BU of 2xez by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, vanMontfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-07-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XF0
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BU of 2xf0 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEY
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BU of 2xey by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010

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