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PDB: 51689 results

5UPU
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BU of 5upu by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide
Authors:Kim, Y, Makowska-Grzyska, M, Maltseva, N, Mulligan, R, Gu, M, Sacchettini, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-04
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6
To Be Published
1JBQ
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BU of 1jbq by Molmil
STRUCTURE OF HUMAN CYSTATHIONINE BETA-SYNTHASE: A UNIQUE PYRIDOXAL 5'-PHOSPHATE DEPENDENT HEMEPROTEIN
Descriptor: CYSTATHIONINE BETA-SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:Meier, M, Janosik, M, Kery, V, Kraus, J.P, Burkhard, P.
Deposit date:2001-06-06
Release date:2001-08-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human cystathionine beta-synthase: a unique pyridoxal 5'-phosphate-dependent heme protein.
EMBO J., 20, 2001
8JCE
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BU of 8jce by Molmil
Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GpppAmU
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H.
Deposit date:2023-05-11
Release date:2023-11-15
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Chikungunya virus nonstructural protein 1 is a versatile RNA capping and decapping enzyme.
J.Biol.Chem., 299, 2023
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
Authors:Sivaraja, M, Williams, D.C.
Deposit date:2018-04-06
Release date:2018-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
6CP6
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BU of 6cp6 by Molmil
Monomer yeast ATP synthase (F1Fo) reconstituted in nanodisc.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase protein 8, ...
Authors:Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M.
Deposit date:2018-03-13
Release date:2018-04-11
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
6FUW
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BU of 6fuw by Molmil
Cryo-EM structure of the human CPSF160-WDR33-CPSF30 complex bound to the PAS AAUAAA motif at 3.1 Angstrom resolution
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*AP*GP*G)-3'), ...
Authors:Clerici, M, Faini, M, Jinek, M.
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis of AAUAAA polyadenylation signal recognition by the human CPSF complex.
Nat. Struct. Mol. Biol., 25, 2018
6FVG
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BU of 6fvg by Molmil
The Structure of CK2alpha with CCh507 bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Authors:Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6T8P
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BU of 6t8p by Molmil
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ...
Authors:Blaesse, M, Venalainen, J.
Deposit date:2019-10-24
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
8JED
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BU of 8jed by Molmil
Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors
Descriptor: mRNA-capping enzyme regulatory subunit OPG124
Authors:Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X.
Deposit date:2023-05-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
6G9D
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BU of 6g9d by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6FVF
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BU of 6fvf by Molmil
The Structure of CK2alpha with CCh503 bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate
Authors:Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6G9M
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BU of 6g9m by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-11
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5F8Z
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BU of 5f8z by Molmil
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
Descriptor: CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein LIGHT CHAIN, SULFATE ION, ...
Authors:Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
To Be Published
5FOX
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BU of 5fox by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHAA PEPTIDE, GLYCEROL, ...
Authors:Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
Deposit date:2015-11-26
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
7ZJY
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BU of 7zjy by Molmil
The NMR structure of the MAX67 effector from Magnaporthe Oryzae
Descriptor: MAX effector protein
Authors:Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:The structural landscape and diversity of Pyricularia oryzae MAX effectors revisited.
Plos Pathog., 20, 2024
7ZK0
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BU of 7zk0 by Molmil
The NMR structure of the MAX60 effector from Magnaporthe Oryzae
Descriptor: MAX effector protein
Authors:Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:The structural landscape and diversity of Pyricularia oryzae MAX effectors revisited.
Plos Pathog., 20, 2024
7PGB
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BU of 7pgb by Molmil
NaV_Ae1/Sp1CTD_pore-SAT09 complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-NITROBENZOIC ACID, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-13
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
7PG8
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BU of 7pg8 by Molmil
NaV_Ae1/Sp1CTD_pore-ANT05 complex
Descriptor: ANT05 H12 fab fragment, heavy chain, light chain, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-13
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
6GDM
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BU of 6gdm by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2018-04-24
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
7PGF
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BU of 7pgf by Molmil
Calcium-selective Sp1 channel pore domain only
Descriptor: Ion transporter
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-13
Release date:2022-06-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
1UG8
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BU of 1ug8 by Molmil
NMR structure of the R3H domain from Poly(A)-specific Ribonuclease
Descriptor: Poly(A)-specific Ribonuclease
Authors:Nagata, T, Muto, Y, Hayami, N, Uda, H, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-15
Release date:2004-08-17
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the R3H domain from Poly(A)-specific Ribonuclease
To be Published
7PGI
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BU of 7pgi by Molmil
NaVAb1p (bicelles)
Descriptor: ACETATE ION, Ion transport protein, MAGNESIUM ION, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-14
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.638 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
7PGH
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BU of 7pgh by Molmil
NaVAe1/Sp1CTDp (DDM)
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DODECAETHYLENE GLYCOL, DODECANE, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-14
Release date:2022-06-15
Last modified:2022-06-29
Method:X-RAY DIFFRACTION (4.194 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
7PGG
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BU of 7pgg by Molmil
NaVAb1p detergent (DM)
Descriptor: 2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate, Ion transport protein
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-13
Release date:2022-06-15
Last modified:2022-06-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
7ZKD
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BU of 7zkd by Molmil
The NMR structure of the MAX47 effector from Magnaporthe Oryzae
Descriptor: MAX effector protein
Authors:Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:The structural landscape and diversity of Pyricularia oryzae MAX effectors revisited.
Plos Pathog., 20, 2024

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