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5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5MXB
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BU of 5mxb by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin
分子名称: Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-22
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
5MXW
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BU of 5mxw by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin.
分子名称: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-25
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
1C8I
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BU of 1c8i by Molmil
BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ...
著者Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K.
登録日2000-05-08
公開日2001-01-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner.
J.Biol.Chem., 275, 2000
4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
分子名称: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
1UKX
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BU of 1ukx by Molmil
Solution structure of the RWD domain of mouse GCN2
分子名称: GCN2 eIF2alpha kinase
著者Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-09-03
公開日2004-08-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
7CBF
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BU of 7cbf by Molmil
Crystal structure of benzophenone synthase from Garcinia mangostana L. pericarps reveals basis for substrate specificity and catalysis
分子名称: 2,4,6-trihydroxybenzophenone synthase, GLYCEROL, IMIDAZOLE, ...
著者Songsiriritthigul, C, Nualkaew, N, Chen, C.-J.
登録日2020-06-12
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Crystal structure of benzophenone synthase from Garcinia mangostana L. pericarps reveals basis for substrate specificity and catalysis.
Acta Crystallogr.,Sect.F, 76, 2020
6UBF
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BU of 6ubf by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*C*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.H.
登録日2019-09-11
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.597 Å)
主引用文献Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
3VQT
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BU of 3vqt by Molmil
Crystal structure analysis of the translation factor RF3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
著者Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y.
登録日2012-03-30
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of the translation factor RF3 (release factor 3)
Febs Lett., 586, 2012
3VR1
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BU of 3vr1 by Molmil
Crystal structure analysis of the translation factor RF3
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, Peptide chain release factor 3
著者Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y.
登録日2012-04-03
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure analysis of the translation factor RF3 (release factor 3)
Febs Lett., 586, 2012
7CEP
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BU of 7cep by Molmil
Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS from Bacillus subtilis
分子名称: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ...
著者Nakamura, R, Yasuhiro, T, Fujishiro, T.
登録日2020-06-24
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
3O59
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BU of 3o59 by Molmil
DNA polymerase D large subunit DP2(1-300) from Pyrococcus horikoshii
分子名称: DNA polymerase II large subunit
著者Yokoyama, H, Shen, Y, Matsui, I.
登録日2010-07-28
公開日2011-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel structure of an N-terminal domain that is crucial for the dimeric assembly and DNA-binding of an archaeal DNA polymerase D large subunit from Pyrococcus horikoshii
Febs Lett., 585, 2011
3FX5
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BU of 3fx5 by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease
著者Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
登録日2009-01-20
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
1CYD
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BU of 1cyd by Molmil
CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL
分子名称: CARBONYL REDUCTASE, ISOPROPYL ALCOHOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Tanaka, N, Nonaka, T, Mitsui, Y.
登録日1995-09-01
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the ternary complex of mouse lung carbonyl reductase at 1.8 A resolution: the structural origin of coenzyme specificity in the short-chain dehydrogenase/reductase family.
Structure, 4, 1996
6WAU
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BU of 6wau by Molmil
Complex structure of PHF19
分子名称: Histone H3.1t peptide, PHD finger protein 19, UNKNOWN ATOM OR ION
著者Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
登録日2020-03-26
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020

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