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8COZ
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BU of 8coz by Molmil
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ...
著者Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
登録日2023-03-01
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
4UPF
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BU of 4upf by Molmil
Assembly principles of the unique cage formed by the ATPase RavA hexamer and the lysine decarboxylase LdcI decamer
分子名称: ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE
著者Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I.
登録日2014-06-16
公開日2014-08-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins.
Elife, 3, 2014
4UP0
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BU of 4up0 by Molmil
Ternary crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a H3K4me2 peptide
分子名称: HISTONE H3.1, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ...
著者Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M.
登録日2014-06-11
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
4UCC
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BU of 4ucc by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M76
分子名称: 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UCE
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BU of 4uce by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M72
分子名称: 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UC7
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BU of 4uc7 by Molmil
N-terminal globular domain of the RSV Nucleoprotein
分子名称: NUCLEOPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UC6
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BU of 4uc6 by Molmil
N-terminal globular domain of the RSV Nucleoprotein
分子名称: NUCLEOPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UCB
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BU of 4ucb by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein
分子名称: NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
6D8Q
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BU of 6d8q by Molmil
NMR solution structure of tamapin, mutant DP30/Y31+N
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-26
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8Y
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BU of 6d8y by Molmil
NMR solution structure of tamapin, mutant Y31H
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-27
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8R
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BU of 6d8r by Molmil
NMR solution structure of tamapin, mutant E25K
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-26
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
4UFO
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BU of 4ufo by Molmil
Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1
分子名称: EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
4UCD
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BU of 4ucd by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M81
分子名称: 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
6D8U
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BU of 6d8u by Molmil
NMR solution structure of tamapin, mutant K20E
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-26
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
4UC9
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BU of 4uc9 by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein
分子名称: ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ...
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
6D93
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BU of 6d93 by Molmil
NMR solution structure of tamapin, mutant Y31A
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-27
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
4UCA
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BU of 4uca by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein
分子名称: NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
6D9P
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BU of 6d9p by Molmil
NMR solution structure of tamapin, mutant K27A
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-30
公開日2019-05-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D3T
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BU of 6d3t by Molmil
NMR solution structure of tamapin, mutant DP30
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G, Mayorga Flores, M.
登録日2018-04-16
公開日2019-07-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D8S
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BU of 6d8s by Molmil
NMR solution structure of tamapin, mutant K27E
分子名称: Potassium channel toxin alpha-KTx 5.4
著者del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
登録日2018-04-26
公開日2019-05-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
分子名称: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Musil, D, Toure, M.
登録日2023-02-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
4UC8
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BU of 4uc8 by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal phenylalanine of the Phosphoprotein
分子名称: GLYCEROL, NUCLEOPROTEIN, PHENYLALANINE, ...
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UNH
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BU of 4unh by Molmil
Human insulin B26Gly mutant crystal structure
分子名称: INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION
著者Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M.
登録日2014-05-28
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
8CKP
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BU of 8ckp by Molmil
X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei
分子名称: Alpha/beta fold hydrolase, CHLORIDE ION
著者Marek, M, Chmelova, K, Schenkmayerova, A, Croll, T, Read, R.J, Diederichs, K.
登録日2023-02-16
公開日2023-08-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
著者Musil, D, Toure, M.
登録日2023-02-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023

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