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5Y25
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BU of 5y25 by Molmil
EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
Descriptor: (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor
Authors:Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A.
Deposit date:2017-07-24
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
3WYY
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BU of 3wyy by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
Descriptor: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
Deposit date:2014-09-10
Release date:2015-04-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZJ
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BU of 3wzj by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
Descriptor: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WYX
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BU of 3wyx by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
Descriptor: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-09
Release date:2015-04-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZK
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BU of 3wzk by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
Descriptor: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3VQU
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BU of 3vqu by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y.
Deposit date:2012-03-30
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3W1F
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BU of 3w1f by Molmil
Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide
Descriptor: 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y.
Deposit date:2012-11-14
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
6M5A
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BU of 6m5a by Molmil
Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum
Descriptor: 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ...
Authors:Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
Deposit date:2020-03-10
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121.
Plos One, 15, 2020
6KC5
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BU of 6kc5 by Molmil
HOIP-HOIPIN1 complex
Descriptor: 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RNF31, ...
Authors:Sato, Y, Fukai, S.
Deposit date:2019-06-27
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Molecular bases for HOIPINs-mediated inhibition of LUBAC and innate immune responses.
Commun Biol, 3, 2020
6KC6
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BU of 6kc6 by Molmil
HOIP-HOIPIN8 complex
Descriptor: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
Authors:Sato, Y, Fukai, S.
Deposit date:2019-06-27
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Molecular bases for HOIPINs-mediated inhibition of LUBAC and innate immune responses.
Commun Biol, 3, 2020
1WTG
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BU of 1wtg by Molmil
Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine
Descriptor: 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ...
Authors:Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T.
Deposit date:2004-11-23
Release date:2005-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
7VN5
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BU of 7vn5 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning TTCACGTGAA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN4
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BU of 7vn4 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning TCCACGTGGA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*CP*CP*AP*CP*GP*TP*GP*AP*AP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN6
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BU of 7vn6 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning CGCACGTGCG
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*GP*CP*AP*CP*GP*TP*GP*CP*GP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN2
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BU of 7vn2 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning ATCACGTGAT
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*AP*TP*CP*AP*CP*GP*TP*GP*AP*TP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN7
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BU of 7vn7 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning GACACGTGTC
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*GP*AP*CP*AP*CP*GP*TP*GP*TP*CP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN8
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BU of 7vn8 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning GTCACGTGAC
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
7VN3
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BU of 7vn3 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning CACACGTGTG
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*GP*TP*GP*TP*GP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
2DGJ
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BU of 2dgj by Molmil
Crystal structure of EbhA (756-1003 domain) from Staphylococcus aureus
Descriptor: ACETIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Tanaka, Y, Yao, M, Kuroda, M, Watanabe, N, Ohta, T, Tanaka, I.
Deposit date:2006-03-14
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A helical string of alternately connected three-helix bundles for the cell wall-associated adhesion protein Ebh from Staphylococcus aureus
Structure, 16, 2008
5YIZ
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BU of 5yiz by Molmil
Mouse Cereblon thalidomide binding domain complexed with racemic thalidomide
Descriptor: Protein cereblon, S-Thalidomide, SULFATE ION, ...
Authors:Mori, T, Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
5YJ0
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BU of 5yj0 by Molmil
Mouse Cereblon thalidomide binding domain complexed with S-form thalidomide
Descriptor: Protein cereblon, S-Thalidomide, SULFATE ION, ...
Authors:Mori, T, Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
5YJ1
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BU of 5yj1 by Molmil
Mouse Cereblon thalidomide binding domain complexed with R-form thalidomide
Descriptor: 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione, Protein cereblon, SULFATE ION, ...
Authors:Mori, T, Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
3W1W
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BU of 3w1w by Molmil
Protein-drug complex
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHOLIC ACID, ...
Authors:Ishii, R, Gupta, V, Yamaguchi, Y, Handa, H, Nureki, O.
Deposit date:2012-11-21
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Salicylic Acid induces mitochondrial injury by inhibiting ferrochelatase heme biosynthesis activity
Mol.Pharmacol., 84, 2013

217705

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