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6WJY
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HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A
分子名称: 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A, Neumann, L.
登録日2020-04-14
公開日2020-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
3PP4
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BU of 3pp4 by Molmil
Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for the type I / type II distinction of anti- CD20 antibodies
分子名称: B-lymphocyte antigen CD20, CHLORIDE ION, GA101 Fab heavy chain, ...
著者Hopfner, K.-P, Lammens, A.
登録日2010-11-24
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for type I/II distinction of CD20 antibodies.
Blood, 118, 2011
3PP3
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Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for the type I / type II distinction of anti- CD20 antibodies
分子名称: GA101 Fab heavy chain, GA101 Fab light chain
著者Hopfner, K.-P, Lammens, A.
登録日2010-11-24
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for type I/II distinction of CD20 antibodies.
Blood, 118, 2011
8AU3
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c-MET Y1234E,Y1235E mutant in complex with Tepotinib
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ...
著者Graedler, U, Lammens, A.
登録日2022-08-25
公開日2023-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
3RA7
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Bispecific digoxigenin binding antibodies for targeted payload delivery
分子名称: DIGOXIGENIN, Fab fragment, heavy chain, ...
著者Hopfner, K.P, Lammens, A.
登録日2011-03-27
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Bispecific digoxigenin-binding antibodies for targeted payload delivery
Proc.Natl.Acad.Sci.USA, 108, 2011
6TCU
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BU of 6tcu by Molmil
Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1
分子名称: 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta
著者Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R.
登録日2019-11-06
公開日2020-09-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
2R8J
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BU of 2r8j by Molmil
Structure of the Eukaryotic DNA Polymerase eta in complex with 1,2-d(GpG)-cisplatin containing DNA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, Cisplatin, ...
著者Carell, T, Alt, A, Lammens, K.
登録日2007-09-11
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Bypass of DNA lesions generated during anticancer treatment with cisplatin by DNA polymerase eta
Science, 318, 2007
2R8K
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Structure of the Eukaryotic DNA Polymerase eta in complex with 1,2-d(GpG)-cisplatin containing DNA
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*DGP*DTP*DGP*DGP*DTP*DGP*DAP*DGP*DC)-3', 5'-D(P*DGP*DGP*DCP*DTP*DCP*DAP*DCP*DCP*DAP*DC)-3', ...
著者Carell, T, Alt, A, Lammens, K.
登録日2007-09-11
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Bypass of DNA lesions generated during anticancer treatment with cisplatin by DNA polymerase eta
Science, 318, 2007
8C8J
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BU of 8c8j by Molmil
Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ...
著者Nichols, C.E, Walpole, T.B, Baldwin, E.
登録日2023-01-20
公開日2023-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
8SXU
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Structure of LINE-1 ORF2p with an oligo(A) template
分子名称: LINE-1 retrotransposable element ORF2 protein, RNA (25-MER)
著者van Eeuwen, T, Taylor, M.S, Rout, M.P.
登録日2023-05-24
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
8SXT
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Structure of LINE-1 ORF2p with template:primer hybrid
分子名称: DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ...
著者van Eeuwen, T, Taylor, M.S, Rout, M.P.
登録日2023-05-24
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
6AZW
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BU of 6azw by Molmil
IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6W39
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Structure of unphosphorylated IRE1 in complex with G-1749
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
著者Ferri, E, Wang, W, Joachim, R, Mortara, K.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.736 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3A
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Structure of unphosphorylated IRE1 in complex with G-7658
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
著者Ferri, E, Wang, W, Joachim, R, Mortara, K.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3E
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Structure of phosphorylated IRE1 in complex with G-0701
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
著者Ferri, E, Wang, W, Joachim, R, Mortara, K.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.737 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3C
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BU of 6w3c by Molmil
Structure of phosphorylated apo IRE1
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1
著者Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3B
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BU of 6w3b by Molmil
Structure of apo unphosphorylated IRE1
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1
著者Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
7M63
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Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
分子名称: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Leonard, P.G, Cross, J.B.
登録日2021-03-25
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
7M7D
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Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968
分子名称: (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Leonard, P.G, Cross, J.B.
登録日2021-03-27
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
6HZV
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HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND
分子名称: 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3
著者Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
登録日2018-10-24
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
6HZU
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HUMAN JAK1 IN COMPLEX WITH LASW1393
分子名称: 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
著者Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
登録日2018-10-24
公開日2019-10-23
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
5OLB
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crystal structure of autotaxin in complex with PF-8380
分子名称: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Hoerer, S, Lammens, A.
登録日2017-07-27
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
7ZW8
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Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
著者Graedler, U, Lammens, A.
登録日2022-05-19
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7ZY6
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Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
分子名称: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
著者Graedler, U, Lammens, A.
登録日2022-05-24
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
6TPE
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Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020

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