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8GQU
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BU of 8gqu by Molmil
AK-42 inhibitor binding human ClC-2 TMD
分子名称: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2
著者Wang, L.
登録日2022-08-30
公開日2023-07-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
8DMH
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BU of 8dmh by Molmil
Lymphocytic choriomeningitis virus glycoprotein in complex with neutralizing antibody M28
分子名称: 18.5C-M28 Fab Heavy Chain, 18.5C-M28 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
登録日2022-07-08
公開日2023-04-12
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
8DMI
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BU of 8dmi by Molmil
Lymphocytic choriomeningitis virus glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G1, ...
著者Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
登録日2022-07-08
公開日2023-04-12
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
5I7E
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BU of 5i7e by Molmil
Crystal structure of B. pseudomallei FabI in apo form
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-17
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
8DSV
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BU of 8dsv by Molmil
The structure of NicA2 in complex with N-methylmyosmine
分子名称: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ...
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-22
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
8DQ8
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BU of 8dq8 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ...
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-18
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
3C6A
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BU of 3c6a by Molmil
Crystal Structure of the RB49 gp17 nuclease domain
分子名称: MAGNESIUM ION, Terminase large subunit
著者Sun, S, Rossmann, M.G.
登録日2008-02-04
公開日2009-01-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
8DQ7
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BU of 8dq7 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S from Pseudomonas putida
分子名称: Amine oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-18
公開日2023-07-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 2023
5J5A
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BU of 5j5a by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
分子名称: METHIONINE, Methionyl-tRNA synthetase, putative, ...
著者Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5J58
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BU of 5j58 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856)
分子名称: (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
3HH0
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BU of 3hh0 by Molmil
Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
分子名称: Transcriptional regulator, MerR family
著者Palani, K, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-05-14
公開日2009-05-26
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
To be Published
5K0T
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BU of 5k0t by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415
分子名称: 1,2-ETHANEDIOL, 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, Methionine--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-05-17
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
3DWR
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BU of 3dwr by Molmil
Leishmania major coproporphyrinogen III oxidase with bound ligand
分子名称: ACETATE ION, Coproporphyrinogen III oxidase, cyclopentylacetic acid
著者Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-07-22
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Leishmania major coproporphyrinogen III oxidase with bound ligand
To be Published
8EKY
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BU of 8eky by Molmil
Cryo-EM structure of the human PRDX4-ErP46 complex
分子名称: Peroxiredoxin-4, Thioredoxin domain-containing protein 5
著者Su, C.C.
登録日2022-09-22
公開日2023-05-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
8EKW
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BU of 8ekw by Molmil
Cryo-EM structure of human PRDX4
分子名称: Peroxiredoxin-4
著者Su, C.C.
登録日2022-09-22
公開日2023-05-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
8EM2
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BU of 8em2 by Molmil
Cryo-EM structure of the human GDH/6PGL endoplasmic bifunctional protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDH/6PGL endoplasmic bifunctional protein
著者Su, C.C.
登録日2022-09-26
公開日2023-05-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
3CCC
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BU of 3ccc by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5J59
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BU of 5j59 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893)
分子名称: 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
分子名称: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
8FXF
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BU of 8fxf by Molmil
Crystal structure of the coiled-coil domain of TRIM56
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM56
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2023-01-24
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TRIM56 coiled-coil domain structure provides insights into its E3 ligase functions.
Comput Struct Biotechnol J, 21, 2023
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

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